3-fluoro-6-methylcyclohexa-1,3-dien-1-amine

C7H10FN — CID 142115593

IUPAC3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=C(F)C=C1N
InChIInChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,9H2,1H3
InChIKeyKUKDYFANSWBYBG-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.72
Rot. Bonds

About 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine

3-fluoro-6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 142115593) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
PubChem CID142115593
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=C(F)C=C1N
InChIInChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,9H2,1H3
InChIKeyKUKDYFANSWBYBG-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Fluoromethyl)cyclohexa-1,3-dien-1-amine
CID 57861961
5-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67518760
4-Fluorocyclohexa-1,3-dien-1-amine
CID 68030455
5-Fluoro-4-methylcyclohexa-1,3-dien-1-amine
CID 68231402
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
3,5-Difluoro-5,6-dimethylcyclohexa-1,3-dien-1-amine
CID 69711831
5-Fluorocyclohexa-1,3-dien-1-amine
CID 70328409
5-Chloro-4-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 70458724
3-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 70669625
4,5,6-Trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
CID 88652889
6-Fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 89053218

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine (CID 142115593) is 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine is CC1CC=C(F)C=C1N.
What is the InChIKey of 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is KUKDYFANSWBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,9H2,1H3.
What are the key properties of 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
3-fluoro-6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142115593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).