(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol

C7H14F3NO — CID 167079851

IUPAC(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol
SMILESCN[C@@H](O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,7(8,9)10)4-5(12)11-3/h5,11-12H,4H2,1-3H3/t5-/m0/s1
InChIKeyFXJOSFGXGPMVSY-YFKPBYRVSA-N
MW185.19 g/mol
LogP1.50
Rot. Bonds3

About (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol

(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol (PubChem CID 167079851) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol.

Molecular Properties

Compound Name(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol
PubChem CID167079851
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol
SMILESCN[C@@H](O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,7(8,9)10)4-5(12)11-3/h5,11-12H,4H2,1-3H3/t5-/m0/s1
InChIKeyFXJOSFGXGPMVSY-YFKPBYRVSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)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

Related Compounds

3-Methyl-1-(2,2,2-trifluoroethylamino)butan-1-ol
CID 129207222
2,2-Difluoro-4-(methylamino)butan-1-ol
CID 134297411
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684
4,4,4-Trifluoro-3,3-dimethyl-2-(methylamino)butan-1-ol
CID 156159277
1-(Difluoromethylamino)propan-1-ol
CID 173056119
1-(Trifluoromethylamino)propan-1-ol
CID 173056233
[(1R)-2,2-difluoro-1-(methylaminomethyl)cyclopropyl]methanol
CID 176216801
4-(2,2-Difluoroethylamino)-3-methylbutan-1-ol
CID 66091631
3-Methyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
CID 66092330
2-Methyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411677
2-Methyl-2-[(3,3,3-trifluoropropylamino)methyl]butan-1-ol
CID 81419844
2-Ethyl-2-[(3,3,3-trifluoropropylamino)methyl]butan-1-ol
CID 81419946

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol?
The IUPAC name of (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol (CID 167079851) is (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol.
What is the SMILES notation for (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol?
The canonical SMILES for (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol is CN[C@@H](O)CC(C)(C)C(F)(F)F.
What is the InChIKey of (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol?
The InChIKey is FXJOSFGXGPMVSY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(2,7(8,9)10)4-5(12)11-3/h5,11-12H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol?
(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol is sourced from PubChem (CID 167079851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).