2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol

C13H15F2NO — CID 177064966

IUPAC2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol
SMILESCC1CC(c2ccccc2)=NC1C(O)C(F)F
InChIInChI=1S/C13H15F2NO/c1-8-7-10(9-5-3-2-4-6-9)16-11(8)12(17)13(14)15/h2-6,8,11-13,17H,7H2,1H3
InChIKeyFTKAGELTWLFJNQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.51
Rot. Bonds3

About 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol

2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol (PubChem CID 177064966) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol
PubChem CID177064966
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol
SMILESCC1CC(c2ccccc2)=NC1C(O)C(F)F
InChIInChI=1S/C13H15F2NO/c1-8-7-10(9-5-3-2-4-6-9)16-11(8)12(17)13(14)15/h2-6,8,11-13,17H,7H2,1H3
InChIKeyFTKAGELTWLFJNQ-UHFFFAOYSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,5-Heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
CID 11396509
ST026286
CID 3251128
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
(3-Phenyl-2H-aziren-2-yl)methanol
CID 318519
5-(Isothiocyanatomethyl)-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 12889642
5-Isothiocyanatomethyl-3-(4-trifluoromethylphenyl)-2-isoxazoline
CID 12889648
2-benzyl-5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 18800879
[3-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 19426822
(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
CID 58736091
[3-Phenyl-4-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 68340363
2-(1,1-Difluoropropan-2-ylideneamino)-2-phenylethanol
CID 118326811
2-(1,1-Difluoropropan-2-ylideneamino)-1-phenylethanol
CID 132005800

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol (CID 177064966) is 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol is CC1CC(c2ccccc2)=NC1C(O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol?
The InChIKey is FTKAGELTWLFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8-7-10(9-5-3-2-4-6-9)16-11(8)12(17)13(14)15/h2-6,8,11-13,17H,7H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol?
2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol has a molecular weight of 239.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 177064966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).