1-amino-1-[2-(trifluoromethyl)phenyl]ethanol

C9H10F3NO — CID 57220877

IUPAC1-amino-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(N)(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(13,14)6-4-2-3-5-7(6)9(10,11)12/h2-5,14H,13H2,1H3
InChIKeyKDVKELJJRDCMJP-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.83
Rot. Bonds1

About 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol

1-amino-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 57220877) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-amino-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID57220877
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-amino-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(N)(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(13,14)6-4-2-3-5-7(6)9(10,11)12/h2-5,14H,13H2,1H3
InChIKeyKDVKELJJRDCMJP-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol (CID 57220877) is 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol is CC(N)(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KDVKELJJRDCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(13,14)6-4-2-3-5-7(6)9(10,11)12/h2-5,14H,13H2,1H3.
What are the key properties of 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
1-amino-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 57220877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).