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

C17H16F2N2O2 — CID 15841010

IUPAC2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(N1CCCCC1=O)=CC(CF)(CF)O2
InChIInChI=1S/C17H16F2N2O2/c18-10-17(11-19)8-14(21-6-2-1-3-16(21)22)13-7-12(9-20)4-5-15(13)23-17/h4-5,7-8H,1-3,6,10-11H2
InChIKeyRMKOXXUMKRIKPT-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.98
Rot. Bonds3

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

2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile (PubChem CID 15841010) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile.

Molecular Properties

Compound Name2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile
PubChem CID15841010
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)C(N1CCCCC1=O)=CC(CF)(CF)O2
InChIInChI=1S/C17H16F2N2O2/c18-10-17(11-19)8-14(21-6-2-1-3-16(21)22)13-7-12(9-20)4-5-15(13)23-17/h4-5,7-8H,1-3,6,10-11H2
InChIKeyRMKOXXUMKRIKPT-UHFFFAOYSA-N
XLogP2.98
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.98
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-oxopiperidin-1-yl)chromene-6-carbonitrile?
The IUPAC name of 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile (CID 15841010) is 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile.
What is the SMILES notation for 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile?
The canonical SMILES for 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile is N#Cc1ccc2c(c1)C(N1CCCCC1=O)=CC(CF)(CF)O2.
What is the InChIKey of 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile?
The InChIKey is RMKOXXUMKRIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-10-17(11-19)8-14(21-6-2-1-3-16(21)22)13-7-12(9-20)4-5-15(13)23-17/h4-5,7-8H,1-3,6,10-11H2.
What are the key properties of 2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile?
2,2-bis(fluoromethyl)-4-(2-oxopiperidin-1-yl)chromene-6-carbonitrile has a molecular weight of 318.32 g/mol, XLogP of 2.98, 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-oxopiperidin-1-yl)chromene-6-carbonitrile is sourced from PubChem (CID 15841010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).