1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane

C10H15F5O2S — CID 59378281

IUPAC1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
SMILESO=S(=O)(CCC(F)(F)F)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H15F5O2S/c11-9(12)3-1-8(2-4-9)7-18(16,17)6-5-10(13,14)15/h8H,1-7H2
InChIKeySVNUABOACREUFO-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.18
Rot. Bonds4

About 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane

1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane (PubChem CID 59378281) has the molecular formula C10H15F5O2S and a molecular weight of 294.29 g/mol. Its IUPAC name is 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
PubChem CID59378281
Molecular FormulaC10H15F5O2S
Molecular Weight294.29 g/mol
Exact Mass294.07
IUPAC Name1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
SMILESO=S(=O)(CCC(F)(F)F)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H15F5O2S/c11-9(12)3-1-8(2-4-9)7-18(16,17)6-5-10(13,14)15/h8H,1-7H2
InChIKeySVNUABOACREUFO-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane (CID 59378281) is 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane is O=S(=O)(CCC(F)(F)F)CC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The InChIKey is SVNUABOACREUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O2S/c11-9(12)3-1-8(2-4-9)7-18(16,17)6-5-10(13,14)15/h8H,1-7H2.
What are the key properties of 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane has a molecular weight of 294.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane is sourced from PubChem (CID 59378281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).