1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine

C9H17ClFN — CID 80693706

IUPAC1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
SMILESFCCNC1(CCl)CCCCC1
InChIInChI=1S/C9H17ClFN/c10-8-9(12-7-6-11)4-2-1-3-5-9/h12H,1-8H2
InChIKeyVIRRZHZGPYYJTO-UHFFFAOYSA-N
MW193.69 g/mol
LogP2.49
Rot. Bonds4

About 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine

1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine (PubChem CID 80693706) has the molecular formula C9H17ClFN and a molecular weight of 193.69 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
PubChem CID80693706
Molecular FormulaC9H17ClFN
Molecular Weight193.69 g/mol
Exact Mass193.10
IUPAC Name1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
SMILESFCCNC1(CCl)CCCCC1
InChIInChI=1S/C9H17ClFN/c10-8-9(12-7-6-11)4-2-1-3-5-9/h12H,1-8H2
InChIKeyVIRRZHZGPYYJTO-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.69
LogP ≤ 52.49
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-fluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine (CID 80693706) is 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine is FCCNC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
The InChIKey is VIRRZHZGPYYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFN/c10-8-9(12-7-6-11)4-2-1-3-5-9/h12H,1-8H2.
What are the key properties of 1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine has a molecular weight of 193.69 g/mol, XLogP of 2.49, 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-fluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 80693706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).