5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol

C12H8ClF6NO — CID 19103182

IUPAC5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2Cl)=NC1C(F)(F)F
InChIInChI=1S/C12H8ClF6NO/c13-7-4-2-1-3-6(7)8-5-10(21,12(17,18)19)9(20-8)11(14,15)16/h1-4,9,21H,5H2
InChIKeyPKDIRAFBNLLJNZ-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.76
Rot. Bonds1

About 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol

5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol (PubChem CID 19103182) has the molecular formula C12H8ClF6NO and a molecular weight of 331.64 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
PubChem CID19103182
Molecular FormulaC12H8ClF6NO
Molecular Weight331.64 g/mol
Exact Mass331.02
IUPAC Name5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2Cl)=NC1C(F)(F)F
InChIInChI=1S/C12H8ClF6NO/c13-7-4-2-1-3-6(7)8-5-10(21,12(17,18)19)9(20-8)11(14,15)16/h1-4,9,21H,5H2
InChIKeyPKDIRAFBNLLJNZ-UHFFFAOYSA-N
XLogP3.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyrophenone, 3'-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, oxime
CID 5468110
(4E)-4-(3-chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
CID 5351423
4-(3-Chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
CID 57995
(2S,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648354
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648355
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 18648356
(2S,3R)-4-(4-chlorophenyl)-2,3,5-tris(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 88366809
2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588567
(2S,3R)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 154522212
4-(4-Chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 11727747
5-(4-Chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 19103166
2-[(2R)-5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588428

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The IUPAC name of 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol (CID 19103182) is 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The canonical SMILES for 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol is OC1(C(F)(F)F)CC(c2ccccc2Cl)=NC1C(F)(F)F.
What is the InChIKey of 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The InChIKey is PKDIRAFBNLLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF6NO/c13-7-4-2-1-3-6(7)8-5-10(21,12(17,18)19)9(20-8)11(14,15)16/h1-4,9,21H,5H2.
What are the key properties of 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol has a molecular weight of 331.64 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol is sourced from PubChem (CID 19103182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).