cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H19F3OS — CID 138668125

IUPACcis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCSC(C)C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3OS/c1-8(16-2)6-10(15)5-3-4-9(7-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyISGYGOMXWSMRPF-XVBQNVSMSA-N
MW256.33 g/mol
LogP3.61
Rot. Bonds3

About cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol

cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 138668125) has the molecular formula C11H19F3OS and a molecular weight of 256.33 g/mol. Its IUPAC name is cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID138668125
Molecular FormulaC11H19F3OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Namecis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCSC(C)C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3OS/c1-8(16-2)6-10(15)5-3-4-9(7-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyISGYGOMXWSMRPF-XVBQNVSMSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 138668125) is cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol is CSC(C)C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ISGYGOMXWSMRPF-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H19F3OS/c1-8(16-2)6-10(15)5-3-4-9(7-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8?,9-,10+/m1/s1.
What are the key properties of cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 256.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 138668125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).