3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol

C11H14F3NO — CID 58377033

IUPAC3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
SMILESCc1cccc(C(N)(CCO)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8-3-2-4-9(7-8)10(15,5-6-16)11(12,13)14/h2-4,7,16H,5-6,15H2,1H3
InChIKeyTYLRZJHAQQWFDP-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol

3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol (PubChem CID 58377033) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
PubChem CID58377033
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
SMILESCc1cccc(C(N)(CCO)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8-3-2-4-9(7-8)10(15,5-6-16)11(12,13)14/h2-4,7,16H,5-6,15H2,1H3
InChIKeyTYLRZJHAQQWFDP-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol?
The IUPAC name of 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol (CID 58377033) is 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol?
The canonical SMILES for 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol is Cc1cccc(C(N)(CCO)C(F)(F)F)c1.
What is the InChIKey of 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol?
The InChIKey is TYLRZJHAQQWFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-3-2-4-9(7-8)10(15,5-6-16)11(12,13)14/h2-4,7,16H,5-6,15H2,1H3.
What are the key properties of 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol?
3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol is sourced from PubChem (CID 58377033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).