3-fluoro-4-methylcyclohexa-2,4-dien-1-amine

C7H10FN — CID 67710936

IUPAC3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C=C1F
InChIInChI=1S/C7H10FN/c1-5-2-3-6(9)4-7(5)8/h2,4,6H,3,9H2,1H3
InChIKeyUTNRCTRPEBRWLP-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.52
Rot. Bonds

About 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine

3-fluoro-4-methylcyclohexa-2,4-dien-1-amine (PubChem CID 67710936) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
PubChem CID67710936
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C=C1F
InChIInChI=1S/C7H10FN/c1-5-2-3-6(9)4-7(5)8/h2,4,6H,3,9H2,1H3
InChIKeyUTNRCTRPEBRWLP-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine (CID 67710936) is 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine is CC1=CCC(N)C=C1F.
What is the InChIKey of 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is UTNRCTRPEBRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-2-3-6(9)4-7(5)8/h2,4,6H,3,9H2,1H3.
What are the key properties of 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine?
3-fluoro-4-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67710936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).