2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

C13H14ClF2NO — CID 142588567

IUPAC2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2cc(F)c(F)cc2Cl)=N1
InChIInChI=1S/C13H14ClF2NO/c1-13(2,18)12-4-3-11(17-12)7-5-9(15)10(16)6-8(7)14/h5-6,12,18H,3-4H2,1-2H3/t12-/m1/s1
InChIKeyMKHISUHNZJQFQW-GFCCVEGCSA-N
MW273.71 g/mol
LogP3.34
Rot. Bonds2

About 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (PubChem CID 142588567) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
PubChem CID142588567
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC Name2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2cc(F)c(F)cc2Cl)=N1
InChIInChI=1S/C13H14ClF2NO/c1-13(2,18)12-4-3-11(17-12)7-5-9(15)10(16)6-8(7)14/h5-6,12,18H,3-4H2,1-2H3/t12-/m1/s1
InChIKeyMKHISUHNZJQFQW-GFCCVEGCSA-N
XLogP3.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(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
5-(2-Chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 19103182
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588514
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584
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
2-[(2R)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588557
2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588563

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (CID 142588567) is 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is CC(C)(O)[C@H]1CCC(c2cc(F)c(F)cc2Cl)=N1.
What is the InChIKey of 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The InChIKey is MKHISUHNZJQFQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c1-13(2,18)12-4-3-11(17-12)7-5-9(15)10(16)6-8(7)14/h5-6,12,18H,3-4H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol has a molecular weight of 273.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is sourced from PubChem (CID 142588567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).