1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol

C9H16F3NOS — CID 80721823

IUPAC1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
SMILESCC1(CNCC(O)C(F)(F)F)CCCS1
InChIInChI=1S/C9H16F3NOS/c1-8(3-2-4-15-8)6-13-5-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyNLXDAGQYAMPSLN-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.78
Rot. Bonds4

About 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol (PubChem CID 80721823) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
PubChem CID80721823
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
SMILESCC1(CNCC(O)C(F)(F)F)CCCS1
InChIInChI=1S/C9H16F3NOS/c1-8(3-2-4-15-8)6-13-5-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyNLXDAGQYAMPSLN-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-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

Related Compounds

[5-Methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 79950653
1,1,1-Trifluoro-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584690
1,1,1-Trifluoro-3-(thian-2-ylmethylamino)propan-2-ol
CID 80600884
N-[(2-methylthiolan-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80721973
N-[(2-methylthiolan-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 80722785
1,1,1-Trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
CID 102671695
1,1-Difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
CID 102672468
3-(3-Ethylsulfanylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 104080402
3-(3-Ethylsulfanylpropylamino)-1,1-difluoropropan-2-ol
CID 104179897
1,1,1-Trifluoro-3-[(5-methylthiolan-3-yl)amino]propan-2-ol
CID 105643124
3-[(5,5-Dimethylthian-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105643586
1,1-Difluoro-3-[(5-methylthiolan-3-yl)amino]propan-2-ol
CID 105644031

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol (CID 80721823) is 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol is CC1(CNCC(O)C(F)(F)F)CCCS1.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol?
The InChIKey is NLXDAGQYAMPSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-8(3-2-4-15-8)6-13-5-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol has a molecular weight of 243.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 80721823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).