[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol

C12H17F2NO2S — CID 79479183

IUPAC[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(CSC(F)F)o2)CC1
InChIInChI=1S/C12H17F2NO2S/c13-11(14)18-6-10-2-1-9(17-10)5-15-7-12(8-16)3-4-12/h1-2,11,15-16H,3-8H2
InChIKeyABGMTIHKTJEWJN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.60
Rot. Bonds8

About [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol

[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol (PubChem CID 79479183) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
PubChem CID79479183
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(CSC(F)F)o2)CC1
InChIInChI=1S/C12H17F2NO2S/c13-11(14)18-6-10-2-1-9(17-10)5-15-7-12(8-16)3-4-12/h1-2,11,15-16H,3-8H2
InChIKeyABGMTIHKTJEWJN-UHFFFAOYSA-N
XLogP2.60
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295296
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51675631
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 71685865

Frequently Asked Questions

What is the IUPAC name of [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol (CID 79479183) is [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccc(CSC(F)F)o2)CC1.
What is the InChIKey of [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol?
The InChIKey is ABGMTIHKTJEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c13-11(14)18-6-10-2-1-9(17-10)5-15-7-12(8-16)3-4-12/h1-2,11,15-16H,3-8H2.
What are the key properties of [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol?
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol has a molecular weight of 277.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).