3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NOS — CID 86806192

IUPAC3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCSC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyBOSTUVDLPYWVAS-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.56
Rot. Bonds5

About 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 86806192) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID86806192
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCSC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyBOSTUVDLPYWVAS-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (CID 86806192) is 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is CCSC1CCCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BOSTUVDLPYWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 271.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylsulfanylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 86806192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).