5-fluoro-4-methylcyclohex-3-en-1-amine

C7H12FN — CID 89214779

IUPAC5-fluoro-4-methylcyclohex-3-en-1-amine
SMILESCC1=CCC(N)CC1F
InChIInChI=1S/C7H12FN/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4,9H2,1H3
InChIKeyZFIFKMSHUPUNDE-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.39
Rot. Bonds

About 5-fluoro-4-methylcyclohex-3-en-1-amine

5-fluoro-4-methylcyclohex-3-en-1-amine (PubChem CID 89214779) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 5-fluoro-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-fluoro-4-methylcyclohex-3-en-1-amine
PubChem CID89214779
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name5-fluoro-4-methylcyclohex-3-en-1-amine
SMILESCC1=CCC(N)CC1F
InChIInChI=1S/C7H12FN/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4,9H2,1H3
InChIKeyZFIFKMSHUPUNDE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylcyclohex-3-en-1-amine?
The IUPAC name of 5-fluoro-4-methylcyclohex-3-en-1-amine (CID 89214779) is 5-fluoro-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 5-fluoro-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for 5-fluoro-4-methylcyclohex-3-en-1-amine is CC1=CCC(N)CC1F.
What is the InChIKey of 5-fluoro-4-methylcyclohex-3-en-1-amine?
The InChIKey is ZFIFKMSHUPUNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4,9H2,1H3.
What are the key properties of 5-fluoro-4-methylcyclohex-3-en-1-amine?
5-fluoro-4-methylcyclohex-3-en-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 89214779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).