4-Tert-butyl-1,1-difluorocyclohexane
Basic information
- CAS
19422-34-5- Standard SMILES
CC(C)(C)C1CCC(F)(F)CC1- InChIKey
PZMAZSVVXRCWTG-UHFFFAOYSA-N- Molecular formula
- C10H18F2
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.1376569
Names & identifiers
- Preferred name
- 4-Tert-butyl-1,1-difluorocyclohexane
- IUPAC
- 4-tert-butyl-1,1-difluorocyclohexane
- English name
- 1-tert-Butyl-4,4'-difluorocyclohexane
- Molecular formula
- C10H18F2
- Molecular weight
- 176.25
Names & synonyms
4-tert-butyl-1,1-difluorocyclohexane19422-34-5DTXSID50348747cyclohexane, 4-(1,1-dimethylethyl)-1,1-difluoro-RefChem:296356DTXCID80299819InChI=1/C10H18F2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H1-tert-Butyl-4,4-difluorocyclohexane4-(tert-butyl)-1,1-difluorocyclohexane1-TERT-BUTYL-4,4/'-DIFLUOROCYCLOHEXANE4-t-butyl-difluorocyclohexaneSCHEMBL2125652
Show more names
1-tert-Butyl-4,4'-difluorocyclohexane
1,1-difluoro-4-t-butylcyclohexane4-t-butyl-1,1-difluorocyclohexaneSBB089194DB-363793EN300-3296391,1-Difluoro-4-(2-Methyl-2-Propanyl)Cyclohexane
Database identifiers
- CAS
19422-34-5- PubChem CID
- 640499
- DTXSID
DTXSID50348747- Nikkaji
- J403.347G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 174 · 174.0±13.0 °C(Predicted)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2902110000 · 2902110000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2902110000
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
11 records
Compound notes
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