(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine

C7H9F2N — CID 69051450

IUPAC(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1(F)C=CC(F)=CC1
InChIInChI=1S/C7H9F2N/c8-6-1-3-7(9,5-10)4-2-6/h1-3H,4-5,10H2
InChIKeyVBTYXQKQLPCMCP-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.47
Rot. Bonds1

About (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine

(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 69051450) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine
PubChem CID69051450
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1(F)C=CC(F)=CC1
InChIInChI=1S/C7H9F2N/c8-6-1-3-7(9,5-10)4-2-6/h1-3H,4-5,10H2
InChIKeyVBTYXQKQLPCMCP-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(r)-4-Fluoro-1-methylbenzylamine
CID 129850911
4-Fluoro-1-methylbenzylamine
CID 129851226
Dihydrobenzylamine
CID 12635460
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
(3-Chloro-1,2-difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68650875
(6,6-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69284464
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(6-Fluorocyclohexa-1,3,4-trien-1-yl)methanamine
CID 88561653
[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 88982780

Frequently Asked Questions

What is the IUPAC name of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine (CID 69051450) is (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine is NCC1(F)C=CC(F)=CC1.
What is the InChIKey of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is VBTYXQKQLPCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-6-1-3-7(9,5-10)4-2-6/h1-3H,4-5,10H2.
What are the key properties of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine?
(1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 145.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 69051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).