3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol

C11H14F3NO — CID 65239510

IUPAC3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(N)(CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-10(15,6-7-16)8-2-4-9(5-3-8)11(12,13)14/h2-5,16H,6-7,15H2,1H3
InChIKeySMNUZDMWPJPRPR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol

3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 65239510) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID65239510
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(N)(CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-10(15,6-7-16)8-2-4-9(5-3-8)11(12,13)14/h2-5,16H,6-7,15H2,1H3
InChIKeySMNUZDMWPJPRPR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 65239510) is 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol is CC(N)(CCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is SMNUZDMWPJPRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(15,6-7-16)8-2-4-9(5-3-8)11(12,13)14/h2-5,16H,6-7,15H2,1H3.
What are the key properties of 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 65239510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).