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

C12H22F2O3S — CID 59378323

IUPAC[4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol
SMILESCC(F)(F)CCS(=O)(=O)CC1CCC(CO)CC1
InChIInChI=1S/C12H22F2O3S/c1-12(13,14)6-7-18(16,17)9-11-4-2-10(8-15)3-5-11/h10-11,15H,2-9H2,1H3
InChIKeyKJMJEVYRRANUNE-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.25
Rot. Bonds6

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

[4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol (PubChem CID 59378323) has the molecular formula C12H22F2O3S and a molecular weight of 284.37 g/mol. Its IUPAC name is [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol
PubChem CID59378323
Molecular FormulaC12H22F2O3S
Molecular Weight284.37 g/mol
Exact Mass284.13
IUPAC Name[4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol
SMILESCC(F)(F)CCS(=O)(=O)CC1CCC(CO)CC1
InChIInChI=1S/C12H22F2O3S/c1-12(13,14)6-7-18(16,17)9-11-4-2-10(8-15)3-5-11/h10-11,15H,2-9H2,1H3
InChIKeyKJMJEVYRRANUNE-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol?
The IUPAC name of [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol (CID 59378323) is [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol is CC(F)(F)CCS(=O)(=O)CC1CCC(CO)CC1.
What is the InChIKey of [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol?
The InChIKey is KJMJEVYRRANUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O3S/c1-12(13,14)6-7-18(16,17)9-11-4-2-10(8-15)3-5-11/h10-11,15H,2-9H2,1H3.
What are the key properties of [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol?
[4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol has a molecular weight of 284.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-difluorobutylsulfonylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 59378323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).