1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol

C10H10F2OS — CID 117308103

IUPAC1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(SC(F)F)c2)CC1
InChIInChI=1S/C10H10F2OS/c11-9(12)14-8-3-1-2-7(6-8)10(13)4-5-10/h1-3,6,9,13H,4-5H2
InChIKeyQKDLCYVJATXHKL-UHFFFAOYSA-N
MW216.25 g/mol
LogP2.98
Rot. Bonds3

About 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol

1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol (PubChem CID 117308103) has the molecular formula C10H10F2OS and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol
PubChem CID117308103
Molecular FormulaC10H10F2OS
Molecular Weight216.25 g/mol
Exact Mass216.04
IUPAC Name1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(SC(F)F)c2)CC1
InChIInChI=1S/C10H10F2OS/c11-9(12)14-8-3-1-2-7(6-8)10(13)4-5-10/h1-3,6,9,13H,4-5H2
InChIKeyQKDLCYVJATXHKL-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
1-(3-methylsulfanylphenyl)cyclopentan-1-ol
CID 170997592
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
2-[3-(difluoromethylsulfanyl)phenyl]acetic acid
CID 117310720
1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
CID 117115274
2-(difluoromethyl)-4-(1-hydroxycyclopropyl)phenol
CID 117289131
1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea
CID 75371994
2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 115113055
1-[3-(1-aminopropan-2-yl)phenyl]cyclopropan-1-ol
CID 115113169
1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol
CID 117287771
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol (CID 117308103) is 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol is OC1(c2cccc(SC(F)F)c2)CC1.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol?
The InChIKey is QKDLCYVJATXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2OS/c11-9(12)14-8-3-1-2-7(6-8)10(13)4-5-10/h1-3,6,9,13H,4-5H2.
What are the key properties of 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol?
1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol has a molecular weight of 216.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117308103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).