7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol

C11H21F3O3S — CID 161360929

IUPAC7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol
SMILESO=S(=O)(CCCCCCCO)CCCC(F)(F)F
InChIInChI=1S/C11H21F3O3S/c12-11(13,14)7-6-10-18(16,17)9-5-3-1-2-4-8-15/h15H,1-10H2
InChIKeyVPDVUNASLUALIA-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.69
Rot. Bonds10

About 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol

7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol (PubChem CID 161360929) has the molecular formula C11H21F3O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol.

Molecular Properties

Compound Name7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol
PubChem CID161360929
Molecular FormulaC11H21F3O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol
SMILESO=S(=O)(CCCCCCCO)CCCC(F)(F)F
InChIInChI=1S/C11H21F3O3S/c12-11(13,14)7-6-10-18(16,17)9-5-3-1-2-4-8-15/h15H,1-10H2
InChIKeyVPDVUNASLUALIA-UHFFFAOYSA-N
XLogP2.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol?
The IUPAC name of 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol (CID 161360929) is 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol.
What is the SMILES notation for 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol?
The canonical SMILES for 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol is O=S(=O)(CCCCCCCO)CCCC(F)(F)F.
What is the InChIKey of 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol?
The InChIKey is VPDVUNASLUALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3S/c12-11(13,14)7-6-10-18(16,17)9-5-3-1-2-4-8-15/h15H,1-10H2.
What are the key properties of 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol?
7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol has a molecular weight of 290.35 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,4-trifluorobutylsulfonyl)heptan-1-ol is sourced from PubChem (CID 161360929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).