(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol

C9H15F6NO — CID 143471626

IUPAC(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCC[C@@H](NC(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-4-6(16-5(2)3)7(17,8(10,11)12)9(13,14)15/h5-6,16-17H,4H2,1-3H3/t6-/m1/s1
InChIKeyPWNZDWTYOBGUQB-ZCFIWIBFSA-N
MW267.21 g/mol
LogP2.62
Rot. Bonds4

About (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol

(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol (PubChem CID 143471626) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
PubChem CID143471626
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC Name(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCC[C@@H](NC(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-4-6(16-5(2)3)7(17,8(10,11)12)9(13,14)15/h5-6,16-17H,4H2,1-3H3/t6-/m1/s1
InChIKeyPWNZDWTYOBGUQB-ZCFIWIBFSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-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 (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol (CID 143471626) is (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol is CC[C@@H](NC(C)C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is PWNZDWTYOBGUQB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15F6NO/c1-4-6(16-5(2)3)7(17,8(10,11)12)9(13,14)15/h5-6,16-17H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 267.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 143471626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).