N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine

C9H17F2N — CID 60922154

IUPACN-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC(F)F)CC1
InChIInChI=1S/C9H17F2N/c1-7-2-4-8(5-3-7)12-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyDSHPCBDYWCPSCH-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine

N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine (PubChem CID 60922154) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
PubChem CID60922154
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC(F)F)CC1
InChIInChI=1S/C9H17F2N/c1-7-2-4-8(5-3-7)12-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyDSHPCBDYWCPSCH-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine (CID 60922154) is N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine is CC1CCC(NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine?
The InChIKey is DSHPCBDYWCPSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7-2-4-8(5-3-7)12-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine?
N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine has a molecular weight of 177.24 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 60922154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).