3-(difluoromethylsulfanyl)butan-1-ol

C5H10F2OS — CID 66138591

IUPAC3-(difluoromethylsulfanyl)butan-1-ol
SMILESCC(CCO)SC(F)F
InChIInChI=1S/C5H10F2OS/c1-4(2-3-8)9-5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyZAWZMNVVFQRIHW-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.71
Rot. Bonds4

About 3-(difluoromethylsulfanyl)butan-1-ol

3-(difluoromethylsulfanyl)butan-1-ol (PubChem CID 66138591) has the molecular formula C5H10F2OS and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)butan-1-ol
PubChem CID66138591
Molecular FormulaC5H10F2OS
Molecular Weight156.20 g/mol
Exact Mass156.04
IUPAC Name3-(difluoromethylsulfanyl)butan-1-ol
SMILESCC(CCO)SC(F)F
InChIInChI=1S/C5H10F2OS/c1-4(2-3-8)9-5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyZAWZMNVVFQRIHW-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)butan-1-ol?
The IUPAC name of 3-(difluoromethylsulfanyl)butan-1-ol (CID 66138591) is 3-(difluoromethylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-(difluoromethylsulfanyl)butan-1-ol?
The canonical SMILES for 3-(difluoromethylsulfanyl)butan-1-ol is CC(CCO)SC(F)F.
What is the InChIKey of 3-(difluoromethylsulfanyl)butan-1-ol?
The InChIKey is ZAWZMNVVFQRIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2OS/c1-4(2-3-8)9-5(6)7/h4-5,8H,2-3H2,1H3.
What are the key properties of 3-(difluoromethylsulfanyl)butan-1-ol?
3-(difluoromethylsulfanyl)butan-1-ol has a molecular weight of 156.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)butan-1-ol is sourced from PubChem (CID 66138591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).