(2-amino-3,4-difluorophenyl)methanol

C7H7F2NO — CID 118989723

IUPAC(2-amino-3,4-difluorophenyl)methanol
SMILESNc1c(CO)ccc(F)c1F
InChIInChI=1S/C7H7F2NO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2
InChIKeyUNBPFJIUOUOZBR-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.04
Rot. Bonds1

About (2-amino-3,4-difluorophenyl)methanol

(2-amino-3,4-difluorophenyl)methanol (PubChem CID 118989723) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is (2-amino-3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3,4-difluorophenyl)methanol
PubChem CID118989723
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name(2-amino-3,4-difluorophenyl)methanol
SMILESNc1c(CO)ccc(F)c1F
InChIInChI=1S/C7H7F2NO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2
InChIKeyUNBPFJIUOUOZBR-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'}

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Related Compounds

2-Aminobenzyl alcohol
CID 21439
4-Aminobenzyl alcohol
CID 69331
1-(2-Amino-3-methylphenyl)ethan-1-ol
CID 102330434
3-Aminobenzyl alcohol
CID 80293
2-Aminobenzhydrol
CID 270810
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-Amino-5-methylbenzyl alcohol
CID 576450
2-Amino-3-methylbenzyl alcohol
CID 577176
(2-Amino-4-fluorophenyl)methanol
CID 12737325
(2-Amino-6-methylphenyl)methanol
CID 15339417
(2-Amino-4,5-difluorophenyl)methanol
CID 21925570
(2-Amino-5-fluorophenyl)methanol
CID 21925621

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4-difluorophenyl)methanol?
The IUPAC name of (2-amino-3,4-difluorophenyl)methanol (CID 118989723) is (2-amino-3,4-difluorophenyl)methanol.
What is the SMILES notation for (2-amino-3,4-difluorophenyl)methanol?
The canonical SMILES for (2-amino-3,4-difluorophenyl)methanol is Nc1c(CO)ccc(F)c1F.
What is the InChIKey of (2-amino-3,4-difluorophenyl)methanol?
The InChIKey is UNBPFJIUOUOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2.
What are the key properties of (2-amino-3,4-difluorophenyl)methanol?
(2-amino-3,4-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 (2-amino-3,4-difluorophenyl)methanol is sourced from PubChem (CID 118989723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).