7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol

C10H19F3O2S — CID 160503013

IUPAC7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol
SMILESO=S(CCCCCCCO)CCC(F)(F)F
InChIInChI=1S/C10H19F3O2S/c11-10(12,13)6-9-16(15)8-5-3-1-2-4-7-14/h14H,1-9H2
InChIKeyQSANEDSHDJNSQR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.63
Rot. Bonds9

About 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol

7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol (PubChem CID 160503013) has the molecular formula C10H19F3O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol.

Molecular Properties

Compound Name7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol
PubChem CID160503013
Molecular FormulaC10H19F3O2S
Molecular Weight260.32 g/mol
Exact Mass260.11
IUPAC Name7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol
SMILESO=S(CCCCCCCO)CCC(F)(F)F
InChIInChI=1S/C10H19F3O2S/c11-10(12,13)6-9-16(15)8-5-3-1-2-4-7-14/h14H,1-9H2
InChIKeyQSANEDSHDJNSQR-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol?
The IUPAC name of 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol (CID 160503013) is 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol.
What is the SMILES notation for 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol?
The canonical SMILES for 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol is O=S(CCCCCCCO)CCC(F)(F)F.
What is the InChIKey of 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol?
The InChIKey is QSANEDSHDJNSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2S/c11-10(12,13)6-9-16(15)8-5-3-1-2-4-7-14/h14H,1-9H2.
What are the key properties of 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol?
7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol has a molecular weight of 260.32 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3,3-trifluoropropylsulfinyl)heptan-1-ol is sourced from PubChem (CID 160503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).