(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol

C10H11F4NO — CID 71093016

IUPAC(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol
SMILESN[C@](CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C10H11F4NO/c11-5-9(15,10(13,14)6-16)7-3-1-2-4-8(7)12/h1-4,16H,5-6,15H2/t9-/m1/s1
InChIKeyBMASGYZEKHUHBD-SECBINFHSA-N
MW237.20 g/mol
LogP1.58
Rot. Bonds4

About (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol

(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol (PubChem CID 71093016) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol
PubChem CID71093016
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol
SMILESN[C@](CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C10H11F4NO/c11-5-9(15,10(13,14)6-16)7-3-1-2-4-8(7)12/h1-4,16H,5-6,15H2/t9-/m1/s1
InChIKeyBMASGYZEKHUHBD-SECBINFHSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol?
The IUPAC name of (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol (CID 71093016) is (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol is N[C@](CF)(c1ccccc1F)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol?
The InChIKey is BMASGYZEKHUHBD-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-5-9(15,10(13,14)6-16)7-3-1-2-4-8(7)12/h1-4,16H,5-6,15H2/t9-/m1/s1.
What are the key properties of (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol?
(3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol has a molecular weight of 237.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2,4-trifluoro-3-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 71093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).