N-fluoro-4-methylcyclohexan-1-amine

C7H14FN — CID 139643855

IUPACN-fluoro-4-methylcyclohexan-1-amine
SMILESCC1CCC(NF)CC1
InChIInChI=1S/C7H14FN/c1-6-2-4-7(9-8)5-3-6/h6-7,9H,2-5H2,1H3
InChIKeyJTMLTHMBQJHDLY-UHFFFAOYSA-N
MW131.19 g/mol
LogP2.04
Rot. Bonds1

About N-fluoro-4-methylcyclohexan-1-amine

N-fluoro-4-methylcyclohexan-1-amine (PubChem CID 139643855) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-fluoro-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-fluoro-4-methylcyclohexan-1-amine
PubChem CID139643855
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-fluoro-4-methylcyclohexan-1-amine
SMILESCC1CCC(NF)CC1
InChIInChI=1S/C7H14FN/c1-6-2-4-7(9-8)5-3-6/h6-7,9H,2-5H2,1H3
InChIKeyJTMLTHMBQJHDLY-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methylcyclohexan-1-amine?
The IUPAC name of N-fluoro-4-methylcyclohexan-1-amine (CID 139643855) is N-fluoro-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-fluoro-4-methylcyclohexan-1-amine?
The canonical SMILES for N-fluoro-4-methylcyclohexan-1-amine is CC1CCC(NF)CC1.
What is the InChIKey of N-fluoro-4-methylcyclohexan-1-amine?
The InChIKey is JTMLTHMBQJHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-2-4-7(9-8)5-3-6/h6-7,9H,2-5H2,1H3.
What are the key properties of N-fluoro-4-methylcyclohexan-1-amine?
N-fluoro-4-methylcyclohexan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methylcyclohexan-1-amine is sourced from PubChem (CID 139643855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).