1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine

C9H16ClF2N — CID 65024555

IUPAC1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESFC(F)CNC1(CCl)CCCCC1
InChIInChI=1S/C9H16ClF2N/c10-7-9(13-6-8(11)12)4-2-1-3-5-9/h8,13H,1-7H2
InChIKeySHRKLGMUJGXYNC-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.78
Rot. Bonds4

About 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine

1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine (PubChem CID 65024555) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
PubChem CID65024555
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC Name1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESFC(F)CNC1(CCl)CCCCC1
InChIInChI=1S/C9H16ClF2N/c10-7-9(13-6-8(11)12)4-2-1-3-5-9/h8,13H,1-7H2
InChIKeySHRKLGMUJGXYNC-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine (CID 65024555) is 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine is FC(F)CNC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The InChIKey is SHRKLGMUJGXYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2N/c10-7-9(13-6-8(11)12)4-2-1-3-5-9/h8,13H,1-7H2.
What are the key properties of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine has a molecular weight of 211.68 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).