[1-(difluoromethylsulfanyl)cyclopropyl]methanol

C5H8F2OS — CID 156713921

IUPAC[1-(difluoromethylsulfanyl)cyclopropyl]methanol
SMILESOCC1(SC(F)F)CC1
InChIInChI=1S/C5H8F2OS/c6-4(7)9-5(3-8)1-2-5/h4,8H,1-3H2
InChIKeyPVGAYHDOPDTHSP-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.47
Rot. Bonds3

About [1-(difluoromethylsulfanyl)cyclopropyl]methanol

[1-(difluoromethylsulfanyl)cyclopropyl]methanol (PubChem CID 156713921) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is [1-(difluoromethylsulfanyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(difluoromethylsulfanyl)cyclopropyl]methanol
PubChem CID156713921
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name[1-(difluoromethylsulfanyl)cyclopropyl]methanol
SMILESOCC1(SC(F)F)CC1
InChIInChI=1S/C5H8F2OS/c6-4(7)9-5(3-8)1-2-5/h4,8H,1-3H2
InChIKeyPVGAYHDOPDTHSP-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfanyl)cyclopropyl]methanol?
The IUPAC name of [1-(difluoromethylsulfanyl)cyclopropyl]methanol (CID 156713921) is [1-(difluoromethylsulfanyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(difluoromethylsulfanyl)cyclopropyl]methanol?
The canonical SMILES for [1-(difluoromethylsulfanyl)cyclopropyl]methanol is OCC1(SC(F)F)CC1.
What is the InChIKey of [1-(difluoromethylsulfanyl)cyclopropyl]methanol?
The InChIKey is PVGAYHDOPDTHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2OS/c6-4(7)9-5(3-8)1-2-5/h4,8H,1-3H2.
What are the key properties of [1-(difluoromethylsulfanyl)cyclopropyl]methanol?
[1-(difluoromethylsulfanyl)cyclopropyl]methanol has a molecular weight of 154.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfanyl)cyclopropyl]methanol is sourced from PubChem (CID 156713921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).