4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol

C9H9ClF3NO2 — CID 126847001

IUPAC4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
SMILESOc1ccc(Cl)cc1NCC(O)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c10-5-1-2-7(15)6(3-5)14-4-8(16)9(11,12)13/h1-3,8,14-16H,4H2
InChIKeyJSBVXMPIBTTXHM-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.38
Rot. Bonds3

About 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol

4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol (PubChem CID 126847001) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
PubChem CID126847001
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
SMILESOc1ccc(Cl)cc1NCC(O)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c10-5-1-2-7(15)6(3-5)14-4-8(16)9(11,12)13/h1-3,8,14-16H,4H2
InChIKeyJSBVXMPIBTTXHM-UHFFFAOYSA-N
XLogP2.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 63901070
3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 126846999
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
4-chloro-2-(ethylamino)phenol
CID 15847212
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366885
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol?
The IUPAC name of 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol (CID 126847001) is 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol?
The canonical SMILES for 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol is Oc1ccc(Cl)cc1NCC(O)C(F)(F)F.
What is the InChIKey of 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol?
The InChIKey is JSBVXMPIBTTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c10-5-1-2-7(15)6(3-5)14-4-8(16)9(11,12)13/h1-3,8,14-16H,4H2.
What are the key properties of 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol?
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol has a molecular weight of 255.62 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol is sourced from PubChem (CID 126847001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).