Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, butyl ester

HCID 3073005

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Basic information

CAS: 145430-07-5
Standard SMILES: CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIKey: OTSQJIXNOPQACF-UHFFFAOYSA-N
Molecular formula: C20H20F6NO3P
Average molar mass: 467.3 g/mol
Monoisotopic mass: 467.10849947

Names & identifiers

Preferred name: Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, butyl ester
IUPAC: butyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

Names & synonyms

Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, butyl ester145430-07-5Butyl (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)carbamateDTXSID30163016RefChem:331766DTXCID8085507Butyl [2-(diphenylphosphoryl)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamateCarbamic acid, N-[1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, butyl este

Database identifiers

CAS: 145430-07-5
PubChem CID: 3073005
DTXSID: DTXSID30163016
Nikkaji: J519.333H

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 604

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