(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine

C8H11F2NO — CID 150934801

IUPAC(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1(F)C=CC(F)=CC1CN
InChIInChI=1S/C8H11F2NO/c1-12-8(10)3-2-7(9)4-6(8)5-11/h2-4,6H,5,11H2,1H3
InChIKeyLGUHOQBZKILLEW-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.30
Rot. Bonds2

About (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine

(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 150934801) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine
PubChem CID150934801
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1(F)C=CC(F)=CC1CN
InChIInChI=1S/C8H11F2NO/c1-12-8(10)3-2-7(9)4-6(8)5-11/h2-4,6H,5,11H2,1H3
InChIKeyLGUHOQBZKILLEW-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,6-difluoro-6-methoxycyclohexa-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

Frequently Asked Questions

What is the IUPAC name of (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine (CID 150934801) is (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine is COC1(F)C=CC(F)=CC1CN.
What is the InChIKey of (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is LGUHOQBZKILLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-12-8(10)3-2-7(9)4-6(8)5-11/h2-4,6H,5,11H2,1H3.
What are the key properties of (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine?
(3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 175.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 150934801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).