(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane

C14H26F2O2S — CID 57035989

IUPAC(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane
SMILESCC(C)S(=O)(=O)CC(F)(F)CCCC1CCCCC1
InChIInChI=1S/C14H26F2O2S/c1-12(2)19(17,18)11-14(15,16)10-6-9-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3
InChIKeyIKSYIIZPBOUXTP-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.20
Rot. Bonds7

About (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane

(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane (PubChem CID 57035989) has the molecular formula C14H26F2O2S and a molecular weight of 296.42 g/mol. Its IUPAC name is (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane.

Molecular Properties

Compound Name(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane
PubChem CID57035989
Molecular FormulaC14H26F2O2S
Molecular Weight296.42 g/mol
Exact Mass296.16
IUPAC Name(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane
SMILESCC(C)S(=O)(=O)CC(F)(F)CCCC1CCCCC1
InChIInChI=1S/C14H26F2O2S/c1-12(2)19(17,18)11-14(15,16)10-6-9-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3
InChIKeyIKSYIIZPBOUXTP-UHFFFAOYSA-N
XLogP4.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane?
The IUPAC name of (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane (CID 57035989) is (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane.
What is the SMILES notation for (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane?
The canonical SMILES for (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane is CC(C)S(=O)(=O)CC(F)(F)CCCC1CCCCC1.
What is the InChIKey of (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane?
The InChIKey is IKSYIIZPBOUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2S/c1-12(2)19(17,18)11-14(15,16)10-6-9-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane?
(4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane has a molecular weight of 296.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-5-propan-2-ylsulfonylpentyl)cyclohexane is sourced from PubChem (CID 57035989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).