(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol

C13H11ClFNO — CID 64915603

IUPAC(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cccc(F)c1
InChIInChI=1S/C13H11ClFNO/c14-9-4-5-11(12(16)7-9)13(17)8-2-1-3-10(15)6-8/h1-7,13,17H,16H2
InChIKeyOMZVFIFUHTVWDB-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.14
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol

(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol (PubChem CID 64915603) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
PubChem CID64915603
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cccc(F)c1
InChIInChI=1S/C13H11ClFNO/c14-9-4-5-11(12(16)7-9)13(17)8-2-1-3-10(15)6-8/h1-7,13,17H,16H2
InChIKeyOMZVFIFUHTVWDB-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.14
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-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
(2-amino-5-methylphenyl)-(3-fluorophenyl)methanol
CID 105489348
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(2-fluoro-4-methylphenyl)-(3-fluorophenyl)methanol
CID 114978479
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726577
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol?
The IUPAC name of (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol (CID 64915603) is (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol is Nc1cc(Cl)ccc1C(O)c1cccc(F)c1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol?
The InChIKey is OMZVFIFUHTVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-9-4-5-11(12(16)7-9)13(17)8-2-1-3-10(15)6-8/h1-7,13,17H,16H2.
What are the key properties of (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol?
(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol has a molecular weight of 251.69 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 64915603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).