[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol

C11H19F3OS — CID 67248875

IUPAC[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol
SMILESOCC1CCC(CSCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)5-6-16-8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2
InChIKeyGHJDGAVRTIMJAZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.47
Rot. Bonds5

About [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol

[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol (PubChem CID 67248875) has the molecular formula C11H19F3OS and a molecular weight of 256.33 g/mol. Its IUPAC name is [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol
PubChem CID67248875
Molecular FormulaC11H19F3OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol
SMILESOCC1CCC(CSCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)5-6-16-8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2
InChIKeyGHJDGAVRTIMJAZ-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol?
The IUPAC name of [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol (CID 67248875) is [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol is OCC1CCC(CSCCC(F)(F)F)CC1.
What is the InChIKey of [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol?
The InChIKey is GHJDGAVRTIMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OS/c12-11(13,14)5-6-16-8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2.
What are the key properties of [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol?
[4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol has a molecular weight of 256.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 67248875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).