1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol

C11H12F2OS — CID 117332597

IUPAC1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2SC(F)F)CC1
InChIInChI=1S/C11H12F2OS/c12-10(13)15-9-4-2-1-3-8(9)7-11(14)5-6-11/h1-4,10,14H,5-7H2
InChIKeyYQRTXLJPOISOCB-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.07
Rot. Bonds4

About 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol

1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117332597) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117332597
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2SC(F)F)CC1
InChIInChI=1S/C11H12F2OS/c12-10(13)15-9-4-2-1-3-8(9)7-11(14)5-6-11/h1-4,10,14H,5-7H2
InChIKeyYQRTXLJPOISOCB-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethylsulfanyl)phenyl]ethanol
CID 117292567
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184
O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293315
1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306787
8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 162442263
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
CID 10609086
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
4-[(2-aminophenyl)methyl]thian-4-ol
CID 105481144
1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374036

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol (CID 117332597) is 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol is OC1(Cc2ccccc2SC(F)F)CC1.
What is the InChIKey of 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is YQRTXLJPOISOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c12-10(13)15-9-4-2-1-3-8(9)7-11(14)5-6-11/h1-4,10,14H,5-7H2.
What are the key properties of 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol?
1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 230.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117332597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).