2-fluoro-4-methylcyclohexen-1-amine

C7H12FN — CID 88993024

IUPAC2-fluoro-4-methylcyclohexen-1-amine
SMILESCC1CCC(N)=C(F)C1
InChIInChI=1S/C7H12FN/c1-5-2-3-7(9)6(8)4-5/h5H,2-4,9H2,1H3
InChIKeyCBEYRCWYHWZQCU-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.95
Rot. Bonds

About 2-fluoro-4-methylcyclohexen-1-amine

2-fluoro-4-methylcyclohexen-1-amine (PubChem CID 88993024) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-4-methylcyclohexen-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methylcyclohexen-1-amine
PubChem CID88993024
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-4-methylcyclohexen-1-amine
SMILESCC1CCC(N)=C(F)C1
InChIInChI=1S/C7H12FN/c1-5-2-3-7(9)6(8)4-5/h5H,2-4,9H2,1H3
InChIKeyCBEYRCWYHWZQCU-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylcyclohexen-1-amine?
The IUPAC name of 2-fluoro-4-methylcyclohexen-1-amine (CID 88993024) is 2-fluoro-4-methylcyclohexen-1-amine.
What is the SMILES notation for 2-fluoro-4-methylcyclohexen-1-amine?
The canonical SMILES for 2-fluoro-4-methylcyclohexen-1-amine is CC1CCC(N)=C(F)C1.
What is the InChIKey of 2-fluoro-4-methylcyclohexen-1-amine?
The InChIKey is CBEYRCWYHWZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-2-3-7(9)6(8)4-5/h5H,2-4,9H2,1H3.
What are the key properties of 2-fluoro-4-methylcyclohexen-1-amine?
2-fluoro-4-methylcyclohexen-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylcyclohexen-1-amine is sourced from PubChem (CID 88993024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).