[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol

C7H8F2O2S — CID 43753545

IUPAC[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CSC(F)F)o1
InChIInChI=1S/C7H8F2O2S/c8-7(9)12-4-6-2-1-5(3-10)11-6/h1-2,7,10H,3-4H2
InChIKeyMCIBIMVPNZMDGX-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.23
Rot. Bonds4

About [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol

[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol (PubChem CID 43753545) has the molecular formula C7H8F2O2S and a molecular weight of 194.20 g/mol. Its IUPAC name is [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
PubChem CID43753545
Molecular FormulaC7H8F2O2S
Molecular Weight194.20 g/mol
Exact Mass194.02
IUPAC Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CSC(F)F)o1
InChIInChI=1S/C7H8F2O2S/c8-7(9)12-4-6-2-1-5(3-10)11-6/h1-2,7,10H,3-4H2
InChIKeyMCIBIMVPNZMDGX-UHFFFAOYSA-N
XLogP2.23
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
CID 79479183
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
CID 61220171
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol?
The IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol (CID 43753545) is [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol is OCc1ccc(CSC(F)F)o1.
What is the InChIKey of [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol?
The InChIKey is MCIBIMVPNZMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2S/c8-7(9)12-4-6-2-1-5(3-10)11-6/h1-2,7,10H,3-4H2.
What are the key properties of [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol?
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol has a molecular weight of 194.20 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol is sourced from PubChem (CID 43753545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).