(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol

C15H17F2NO2S — CID 97229548

IUPAC(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
SMILESC[C@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H17F2NO2S/c1-10(18-9-13(19)14-3-2-8-20-14)11-4-6-12(7-5-11)21-15(16)17/h2-8,10,13,15,18-19H,9H2,1H3/t10-,13-/m0/s1
InChIKeyNJFKIUJRPMXIFZ-GWCFXTLKSA-N
MW313.37 g/mol
LogP3.98
Rot. Bonds7

About (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 97229548) has the molecular formula C15H17F2NO2S and a molecular weight of 313.37 g/mol. Its IUPAC name is (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
PubChem CID97229548
Molecular FormulaC15H17F2NO2S
Molecular Weight313.37 g/mol
Exact Mass313.09
IUPAC Name(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
SMILESC[C@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H17F2NO2S/c1-10(18-9-13(19)14-3-2-8-20-14)11-4-6-12(7-5-11)21-15(16)17/h2-8,10,13,15,18-19H,9H2,1H3/t10-,13-/m0/s1
InChIKeyNJFKIUJRPMXIFZ-GWCFXTLKSA-N
XLogP3.98
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
(2R)-2-[[(1R)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]propan-1-ol
CID 97323095
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol (CID 97229548) is (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol is C[C@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1.
What is the InChIKey of (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is NJFKIUJRPMXIFZ-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H17F2NO2S/c1-10(18-9-13(19)14-3-2-8-20-14)11-4-6-12(7-5-11)21-15(16)17/h2-8,10,13,15,18-19H,9H2,1H3/t10-,13-/m0/s1.
What are the key properties of (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 313.37 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97229548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).