1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol

C14H19FO3S — CID 75395479

IUPAC1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccccc1F)CC1(O)CCCCC1
InChIInChI=1S/C14H19FO3S/c15-13-7-3-2-6-12(13)10-19(17,18)11-14(16)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyAVBAPEKNGRULQT-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.44
Rot. Bonds4

About 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol

1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol (PubChem CID 75395479) has the molecular formula C14H19FO3S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
PubChem CID75395479
Molecular FormulaC14H19FO3S
Molecular Weight286.37 g/mol
Exact Mass286.10
IUPAC Name1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccccc1F)CC1(O)CCCCC1
InChIInChI=1S/C14H19FO3S/c15-13-7-3-2-6-12(13)10-19(17,18)11-14(16)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyAVBAPEKNGRULQT-UHFFFAOYSA-N
XLogP2.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol (CID 75395479) is 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol is O=S(=O)(Cc1ccccc1F)CC1(O)CCCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The InChIKey is AVBAPEKNGRULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3S/c15-13-7-3-2-6-12(13)10-19(17,18)11-14(16)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-11H2.
What are the key properties of 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 75395479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).