3,3'-Cyclohexane-1,4-diylbis[1-(2-fluoroethyl)-1-nitrosourea]
Basic information
- CAS
13908-98-0- Standard SMILES
O=NN(CCF)C(=O)NC1CCC(NC(=O)N(CCF)N=O)CC1- InChIKey
DFOQHOPDQOLNOI-UHFFFAOYSA-N- Molecular formula
- C12H20F2N6O4
- Average molar mass
- 350.32 g/mol
- Monoisotopic mass
- 350.15140946
Names & identifiers
- Preferred name
- 3,3'-Cyclohexane-1,4-diylbis[1-(2-fluoroethyl)-1-nitrosourea]
- IUPAC
- 1-(2-fluoroethyl)-3-[4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
Names & synonyms
13908-98-03,3'-cyclohexane-1,4-diylbis[1-(2-fluoroethyl)-1-nitrosourea]NSC95459DTXSID20294247NSC-95459N',N''-Cyclohexane-1,4-diylbis[N-(2-fluoroethyl)-N-nitrosourea]Urea,1'-(1,4-cyclohexylene)bis[3-(2-fluoroethyl)-3-nitroso-, trans-Urea,N''-1,4-cyclohexanediylbis[N'-(2-fluoroethyl)-N'-nitroso-, trans-
Database identifiers
- CAS
13908-98-0- PubChem CID
- 262122
- DTXSID
DTXSID20294247- Nikkaji
- J1.579.735E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
LogP1.34
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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