2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile

C16H14F2N2O2 — CID 15841004

IUPAC2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(N1CCCC1=O)=CC(CF)(CF)O2
InChIInChI=1S/C16H14F2N2O2/c17-9-16(10-18)7-13(20-5-1-2-15(20)21)12-6-11(8-19)3-4-14(12)22-16/h3-4,6-7H,1-2,5,9-10H2
InChIKeyVTXZHKRIFHRQNE-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.59
Rot. Bonds3

About 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile

2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile (PubChem CID 15841004) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile.

Molecular Properties

Compound Name2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
PubChem CID15841004
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(N1CCCC1=O)=CC(CF)(CF)O2
InChIInChI=1S/C16H14F2N2O2/c17-9-16(10-18)7-13(20-5-1-2-15(20)21)12-6-11(8-19)3-4-14(12)22-16/h3-4,6-7H,1-2,5,9-10H2
InChIKeyVTXZHKRIFHRQNE-UHFFFAOYSA-N
XLogP2.59
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The IUPAC name of 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile (CID 15841004) is 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile.
What is the SMILES notation for 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The canonical SMILES for 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile is N#Cc1ccc2c(c1)C(N1CCCC1=O)=CC(CF)(CF)O2.
What is the InChIKey of 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The InChIKey is VTXZHKRIFHRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-9-16(10-18)7-13(20-5-1-2-15(20)21)12-6-11(8-19)3-4-14(12)22-16/h3-4,6-7H,1-2,5,9-10H2.
What are the key properties of 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile has a molecular weight of 304.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile is sourced from PubChem (CID 15841004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).