N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine

C8H13F4N — CID 130987506

IUPACN-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1(F)F
InChIInChI=1S/C8H13F4N/c9-7(10)5-13-6-3-1-2-4-8(6,11)12/h6-7,13H,1-5H2
InChIKeyFYZYVSNPSDTQKK-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.42
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine

N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine (PubChem CID 130987506) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine
PubChem CID130987506
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC NameN-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1(F)F
InChIInChI=1S/C8H13F4N/c9-7(10)5-13-6-3-1-2-4-8(6,11)12/h6-7,13H,1-5H2
InChIKeyFYZYVSNPSDTQKK-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
CID 131014891
2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
CID 130736613
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231
(2,2-difluorocyclohexyl)urea
CID 131126356
(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
CID 130942417
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine (CID 130987506) is N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine is FC(F)CNC1CCCCC1(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine?
The InChIKey is FYZYVSNPSDTQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c9-7(10)5-13-6-3-1-2-4-8(6,11)12/h6-7,13H,1-5H2.
What are the key properties of N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine?
N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine has a molecular weight of 199.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine is sourced from PubChem (CID 130987506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).