1-(2,2-difluoroethyl)pyrrole-2-carbonitrile

C7H6F2N2 — CID 84650304

IUPAC1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC(F)F
InChIInChI=1S/C7H6F2N2/c8-7(9)5-11-3-1-2-6(11)4-10/h1-3,7H,5H2
InChIKeyKERSFLQRGPJUPW-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile

1-(2,2-difluoroethyl)pyrrole-2-carbonitrile (PubChem CID 84650304) has the molecular formula C7H6F2N2 and a molecular weight of 156.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
PubChem CID84650304
Molecular FormulaC7H6F2N2
Molecular Weight156.13 g/mol
Exact Mass156.05
IUPAC Name1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC(F)F
InChIInChI=1S/C7H6F2N2/c8-7(9)5-11-3-1-2-6(11)4-10/h1-3,7H,5H2
InChIKeyKERSFLQRGPJUPW-UHFFFAOYSA-N
XLogP1.62
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)pyrrole-2-carbonitrile
CID 130844805
1-(2-bromo-3,3,3-trifluoropropyl)pyrrole-2-carbonitrile
CID 114650728
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986
1-(2-bromoethyl)pyrrole-2-carbonitrile
CID 114650712
1-(3-chloropropyl)pyrrole-2-carbonitrile
CID 114650702
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
1-(4-chlorobutyl)pyrrole-2-carbonitrile
CID 114650701
1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 114652501
1-[(3-bromo-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114653143
1-[(3-amino-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114650238
methyl 2-acetamido-3-(2-cyanopyrrol-1-yl)propanoate
CID 114650527
1-[[(2S)-oxiran-2-yl]methyl]pyrrole-2-carbonitrile
CID 130493195

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile (CID 84650304) is 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile is N#Cc1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile?
The InChIKey is KERSFLQRGPJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2/c8-7(9)5-11-3-1-2-6(11)4-10/h1-3,7H,5H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile?
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile has a molecular weight of 156.13 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 84650304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).