4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NOS — CID 115706173

IUPAC4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCSCCNC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-16-7-6-14-8-2-4-9(15,5-3-8)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyPBSVSENYCZOVKK-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.17
Rot. Bonds4

About 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol

4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 115706173) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID115706173
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCSCCNC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-16-7-6-14-8-2-4-9(15,5-3-8)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyPBSVSENYCZOVKK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 115706173) is 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol is CSCCNC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is PBSVSENYCZOVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-16-7-6-14-8-2-4-9(15,5-3-8)10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-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 4-(2-methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 115706173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).