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

C9H17ClFN — CID 106365146

IUPAC2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
SMILESFCCNC1CCCCC1CCl
InChIInChI=1S/C9H17ClFN/c10-7-8-3-1-2-4-9(8)12-6-5-11/h8-9,12H,1-7H2
InChIKeyUAIIMKNUJGUHMK-UHFFFAOYSA-N
MW193.69 g/mol
LogP2.34
Rot. Bonds4

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

2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine (PubChem CID 106365146) has the molecular formula C9H17ClFN and a molecular weight of 193.69 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
PubChem CID106365146
Molecular FormulaC9H17ClFN
Molecular Weight193.69 g/mol
Exact Mass193.10
IUPAC Name2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
SMILESFCCNC1CCCCC1CCl
InChIInChI=1S/C9H17ClFN/c10-7-8-3-1-2-4-9(8)12-6-5-11/h8-9,12H,1-7H2
InChIKeyUAIIMKNUJGUHMK-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 106365355
2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine
CID 130646659
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 106365119
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
CID 106365168
2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
CID 106365175
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
CID 106365038

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine (CID 106365146) is 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine is FCCNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
The InChIKey is UAIIMKNUJGUHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFN/c10-7-8-3-1-2-4-9(8)12-6-5-11/h8-9,12H,1-7H2.
What are the key properties of 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine?
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine has a molecular weight of 193.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 106365146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).