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

C7H10FN — CID 147363508

IUPAC4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(F)=CCC1N
InChIInChI=1S/C7H10FN/c1-5-4-6(8)2-3-7(5)9/h2,4,7H,3,9H2,1H3
InChIKeyDHSIRRHUQILUNK-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.52
Rot. Bonds

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

4-fluoro-2-methylcyclohexa-2,4-dien-1-amine (PubChem CID 147363508) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
PubChem CID147363508
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(F)=CCC1N
InChIInChI=1S/C7H10FN/c1-5-4-6(8)2-3-7(5)9/h2,4,7H,3,9H2,1H3
InChIKeyDHSIRRHUQILUNK-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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Related Compounds

6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
CID 137427519
(1E,3E,6E)-1,3-difluoro-7-methylcycloocta-1,3,6-triene
CID 130195066
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
3,5-difluoro-2-methylcyclohepta-1,3,5-triene
CID 142115585
3-fluoro-1-methylcyclohepta-1,3-diene
CID 143151930
1-[(E)-but-2-en-2-yl]-3,6-difluorocyclohexa-1,3-diene
CID 163502254
4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine
CID 121321104
(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine
CID 126687315
3,6-dimethyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123863179
3-fluoro-6-(hydroxymethyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 166994450
2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 174271983
(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
CID 170380679

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine (CID 147363508) is 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine is CC1=CC(F)=CCC1N.
What is the InChIKey of 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is DHSIRRHUQILUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-4-6(8)2-3-7(5)9/h2,4,7H,3,9H2,1H3.
What are the key properties of 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine?
4-fluoro-2-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 4-fluoro-2-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 147363508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).