(3-amino-2,6-difluorophenyl)methanol

C7H7F2NO — CID 45090693

IUPAC(3-amino-2,6-difluorophenyl)methanol
SMILESNc1ccc(F)c(CO)c1F
InChIInChI=1S/C7H7F2NO/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2,11H,3,10H2
InChIKeyWNZJWZYRNXVANU-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.04
Rot. Bonds1

About (3-amino-2,6-difluorophenyl)methanol

(3-amino-2,6-difluorophenyl)methanol (PubChem CID 45090693) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)methanol
PubChem CID45090693
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name(3-amino-2,6-difluorophenyl)methanol
SMILESNc1ccc(F)c(CO)c1F
InChIInChI=1S/C7H7F2NO/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2,11H,3,10H2
InChIKeyWNZJWZYRNXVANU-UHFFFAOYSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-amino-2,6-difluorophenyl)methanol 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-amino-2,6-difluorophenyl)methanol?
The IUPAC name of (3-amino-2,6-difluorophenyl)methanol (CID 45090693) is (3-amino-2,6-difluorophenyl)methanol.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)methanol?
The canonical SMILES for (3-amino-2,6-difluorophenyl)methanol is Nc1ccc(F)c(CO)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)methanol?
The InChIKey is WNZJWZYRNXVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2,11H,3,10H2.
What are the key properties of (3-amino-2,6-difluorophenyl)methanol?
(3-amino-2,6-difluorophenyl)methanol has a molecular weight of 159.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)methanol is sourced from PubChem (CID 45090693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).