1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide

C10H14F2N2O2 — CID 114609446

IUPAC1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
SMILESCC(CO)NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-7(6-15)13-10(16)8-3-2-4-14(8)5-9(11)12/h2-4,7,9,15H,5-6H2,1H3,(H,13,16)
InChIKeyRBVUKYHGMXKCFA-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.86
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide (PubChem CID 114609446) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
PubChem CID114609446
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
SMILESCC(CO)NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-7(6-15)13-10(16)8-3-2-4-14(8)5-9(11)12/h2-4,7,9,15H,5-6H2,1H3,(H,13,16)
InChIKeyRBVUKYHGMXKCFA-UHFFFAOYSA-N
XLogP0.86
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 114609754
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 104939921
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 114610004
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 104939909
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104939894
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610593

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide (CID 114609446) is 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide is CC(CO)NC(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide?
The InChIKey is RBVUKYHGMXKCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-7(6-15)13-10(16)8-3-2-4-14(8)5-9(11)12/h2-4,7,9,15H,5-6H2,1H3,(H,13,16).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).