(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol

C13H10ClF2NO — CID 112736201

IUPAC(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol
SMILESNc1ccc(C(O)c2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c14-12-6-10(17)1-2-11(12)13(18)7-3-8(15)5-9(16)4-7/h1-6,13,18H,17H2
InChIKeyKMVBOKPUYRDXAC-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.28
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol

(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol (PubChem CID 112736201) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol
PubChem CID112736201
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol
SMILESNc1ccc(C(O)c2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c14-12-6-10(17)1-2-11(12)13(18)7-3-8(15)5-9(16)4-7/h1-6,13,18H,17H2
InChIKeyKMVBOKPUYRDXAC-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.28
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

(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
CID 27260955
(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
CID 2317253
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
4-amino-1-(4-amino-2-chlorophenyl)butane-1,2-diol
CID 171880949
(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
CID 114454131
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
CID 64915603

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol (CID 112736201) is (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol is Nc1ccc(C(O)c2cc(F)cc(F)c2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is KMVBOKPUYRDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-12-6-10(17)1-2-11(12)13(18)7-3-8(15)5-9(16)4-7/h1-6,13,18H,17H2.
What are the key properties of (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol?
(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 269.68 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 112736201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).