[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol

C8H7ClF3NO — CID 119020502

IUPAC[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
SMILESNc1c(Cl)cc(C(F)(F)F)cc1CO
InChIInChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-14)7(6)13/h1-2,14H,3,13H2
InChIKeySSULLAPXWXHCKB-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.43
Rot. Bonds1

About [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol

[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 119020502) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
PubChem CID119020502
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
SMILESNc1c(Cl)cc(C(F)(F)F)cc1CO
InChIInChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-14)7(6)13/h1-2,14H,3,13H2
InChIKeySSULLAPXWXHCKB-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.43
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-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 170871674
[5-amino-3-chloro-2-(trifluoromethyl)phenyl]methanol
CID 131094748
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771
2-chloro-6-fluoro-4-(trifluoromethyl)aniline;2-fluoro-4-(trifluoromethyl)aniline;methane
CID 159370477
[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 131534108
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]acetonitrile
CID 84797705
2-(bromomethyl)-3-chloro-5-(trifluoromethyl)aniline
CID 119017440
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol (CID 119020502) is [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol is Nc1c(Cl)cc(C(F)(F)F)cc1CO.
What is the InChIKey of [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is SSULLAPXWXHCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-14)7(6)13/h1-2,14H,3,13H2.
What are the key properties of [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol?
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 225.60 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 119020502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).