2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine

C9H17ClFN — CID 81114051

IUPAC2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine
SMILESFCCCNC1CCCCC1Cl
InChIInChI=1S/C9H17ClFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h8-9,12H,1-7H2
InChIKeyDEKBHAAFLQXXII-UHFFFAOYSA-N
MW193.69 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine

2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine (PubChem CID 81114051) has the molecular formula C9H17ClFN and a molecular weight of 193.69 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine
PubChem CID81114051
Molecular FormulaC9H17ClFN
Molecular Weight193.69 g/mol
Exact Mass193.10
IUPAC Name2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine
SMILESFCCCNC1CCCCC1Cl
InChIInChI=1S/C9H17ClFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h8-9,12H,1-7H2
InChIKeyDEKBHAAFLQXXII-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine
CID 130646659
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65096824
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116618109
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025611
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
N-(5-fluoropentyl)cyclopropanamine
CID 130516776
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine (CID 81114051) is 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine is FCCCNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine?
The InChIKey is DEKBHAAFLQXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h8-9,12H,1-7H2.
What are the key properties of 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine?
2-chloro-N-(3-fluoropropyl)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 2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 81114051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).