3-(2,2-difluoroethylamino)cyclopent-2-en-1-one

C7H9F2NO — CID 104788653

IUPAC3-(2,2-difluoroethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC(F)F)CC1
InChIInChI=1S/C7H9F2NO/c8-7(9)4-10-5-1-2-6(11)3-5/h3,7,10H,1-2,4H2
InChIKeyCJYOPOZRBDCDAH-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.09
Rot. Bonds3

About 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one

3-(2,2-difluoroethylamino)cyclopent-2-en-1-one (PubChem CID 104788653) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)cyclopent-2-en-1-one
PubChem CID104788653
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(2,2-difluoroethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC(F)F)CC1
InChIInChI=1S/C7H9F2NO/c8-7(9)4-10-5-1-2-6(11)3-5/h3,7,10H,1-2,4H2
InChIKeyCJYOPOZRBDCDAH-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one (CID 104788653) is 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one is O=C1C=C(NCC(F)F)CC1.
What is the InChIKey of 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one?
The InChIKey is CJYOPOZRBDCDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)4-10-5-1-2-6(11)3-5/h3,7,10H,1-2,4H2.
What are the key properties of 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one?
3-(2,2-difluoroethylamino)cyclopent-2-en-1-one has a molecular weight of 161.15 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).