(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine

C7H9F2N — CID 70144286

IUPAC(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)(F)C=C1
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2
InChIKeyXYMXHEQWXNFBMN-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.47
Rot. Bonds1

About (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine

(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 70144286) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
PubChem CID70144286
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)(F)C=C1
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2
InChIKeyXYMXHEQWXNFBMN-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 (4,4-difluorocyclohexa-1,5-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

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (CID 70144286) is (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is NCC1=CCC(F)(F)C=C1.
What is the InChIKey of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is XYMXHEQWXNFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2.
What are the key properties of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
(4,4-difluorocyclohexa-1,5-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 (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 70144286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).