(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol

C11H12F5NO — CID 90308192

IUPAC(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol
SMILESC[C@](N)(CC(O)C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C11H12F5NO/c1-10(17,5-8(18)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,18H,5,17H2,1H3/t8?,10-/m0/s1
InChIKeyZOXGTISJRIBFOK-HTLJXXAVSA-N
MW269.21 g/mol
LogP2.45
Rot. Bonds3

About (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol

(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 90308192) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol
PubChem CID90308192
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol
SMILESC[C@](N)(CC(O)C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C11H12F5NO/c1-10(17,5-8(18)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,18H,5,17H2,1H3/t8?,10-/m0/s1
InChIKeyZOXGTISJRIBFOK-HTLJXXAVSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol
CID 123881675
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
CID 68737589
(2S,4S)-4-amino-4-(5-bromo-2-fluoro-3-pyridinyl)-1,1,1-trifluoropentan-2-ol
CID 90373032
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 90373007
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
CID 114865092
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol (CID 90308192) is (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol is C[C@](N)(CC(O)C(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is ZOXGTISJRIBFOK-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-10(17,5-8(18)11(14,15)16)9-6(12)3-2-4-7(9)13/h2-4,8,18H,5,17H2,1H3/t8?,10-/m0/s1.
What are the key properties of (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol?
(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 269.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 90308192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).