1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol

C10H18F3NOS — CID 115712124

IUPAC1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCSC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-16-8-5-3-2-4-7(8)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyLLUGCNWTIOPPMJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.17
Rot. Bonds4

About 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol (PubChem CID 115712124) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol
PubChem CID115712124
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCSC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-16-8-5-3-2-4-7(8)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyLLUGCNWTIOPPMJ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-(thian-2-ylmethylamino)propan-2-ol
CID 80600884
3-[(2-Ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 86806192
(2R)-3-[[(1S,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 99858464
(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 99858466
2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 103271278
1,1-Difluoro-3-(thian-4-ylamino)propan-2-ol
CID 103731663
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 103779216
1,1,1-Trifluoro-3-(thian-3-ylamino)propan-2-ol
CID 104176010
1,1-Difluoro-3-(thian-3-ylamino)propan-2-ol
CID 104176271
3-[2-(6,6,6-Trifluorohexan-2-ylamino)ethylsulfanyl]propan-1-ol
CID 104924803
1,1,1-Trifluoro-3-[(5-methylthiolan-3-yl)amino]propan-2-ol
CID 105643124
1,1,1-Trifluoro-3-[(2-methylthian-3-yl)amino]propan-2-ol
CID 105643394

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol (CID 115712124) is 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol is CSC1CCCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol?
The InChIKey is LLUGCNWTIOPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-16-8-5-3-2-4-7(8)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methylsulfanylcyclohexyl)amino]propan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.17, 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-methylsulfanylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 115712124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).