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

C13H11F2NO — CID 106695899

IUPAC(3-aminophenyl)-(2,4-difluorophenyl)methanol
SMILESNc1cccc(C(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13,17H,16H2
InChIKeyAGYGROFKCFKULY-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.63
Rot. Bonds2

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

(3-aminophenyl)-(2,4-difluorophenyl)methanol (PubChem CID 106695899) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is (3-aminophenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(2,4-difluorophenyl)methanol
PubChem CID106695899
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name(3-aminophenyl)-(2,4-difluorophenyl)methanol
SMILESNc1cccc(C(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13,17H,16H2
InChIKeyAGYGROFKCFKULY-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.63
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

3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583
(2-fluoro-4-methylphenyl)-(3-fluorophenyl)methanol
CID 114978479
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(2-aminophenyl)-(2,4-difluorophenyl)methanol
CID 64833381
(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
CID 64915603
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62267773
(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
CID 63084368
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(2,4-difluorophenyl)methanediol
CID 91089962
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
(2,4-difluorophenyl)-naphthalen-1-ylmethanol
CID 61087726
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (3-aminophenyl)-(2,4-difluorophenyl)methanol (CID 106695899) is (3-aminophenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (3-aminophenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (3-aminophenyl)-(2,4-difluorophenyl)methanol is Nc1cccc(C(O)c2ccc(F)cc2F)c1.
What is the InChIKey of (3-aminophenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is AGYGROFKCFKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,13,17H,16H2.
What are the key properties of (3-aminophenyl)-(2,4-difluorophenyl)methanol?
(3-aminophenyl)-(2,4-difluorophenyl)methanol has a molecular weight of 235.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 106695899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).