(5-chloro-2-fluorocyclohexyl)methanamine

C7H13ClFN — CID 70312113

IUPAC(5-chloro-2-fluorocyclohexyl)methanamine
SMILESNCC1CC(Cl)CCC1F
InChIInChI=1S/C7H13ClFN/c8-6-1-2-7(9)5(3-6)4-10/h5-7H,1-4,10H2
InChIKeyKGXMWIZUBSDZEG-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.69
Rot. Bonds1

About (5-chloro-2-fluorocyclohexyl)methanamine

(5-chloro-2-fluorocyclohexyl)methanamine (PubChem CID 70312113) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is (5-chloro-2-fluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorocyclohexyl)methanamine
PubChem CID70312113
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name(5-chloro-2-fluorocyclohexyl)methanamine
SMILESNCC1CC(Cl)CCC1F
InChIInChI=1S/C7H13ClFN/c8-6-1-2-7(9)5(3-6)4-10/h5-7H,1-4,10H2
InChIKeyKGXMWIZUBSDZEG-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.69
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 (5-chloro-2-fluorocyclohexyl)methanamine?
The IUPAC name of (5-chloro-2-fluorocyclohexyl)methanamine (CID 70312113) is (5-chloro-2-fluorocyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorocyclohexyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorocyclohexyl)methanamine is NCC1CC(Cl)CCC1F.
What is the InChIKey of (5-chloro-2-fluorocyclohexyl)methanamine?
The InChIKey is KGXMWIZUBSDZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFN/c8-6-1-2-7(9)5(3-6)4-10/h5-7H,1-4,10H2.
What are the key properties of (5-chloro-2-fluorocyclohexyl)methanamine?
(5-chloro-2-fluorocyclohexyl)methanamine has a molecular weight of 165.64 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorocyclohexyl)methanamine is sourced from PubChem (CID 70312113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).