N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide

C8H10F3NO — CID 131128870

IUPACN-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-12-7(13)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyMKVBHPZPGOYXCZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.63
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide

N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 131128870) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
PubChem CID131128870
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-12-7(13)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyMKVBHPZPGOYXCZ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
Cyclopent-3-en-1-yl-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
CID 126794122
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
4-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrolidin-2-one
CID 70944569
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436
N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
CID 130701915
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
(2S)-2-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 138550312
(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
CID 166767269

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide (CID 131128870) is N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide is O=C(NCC(F)(F)F)C1CC=CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is MKVBHPZPGOYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)5-12-7(13)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 193.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 131128870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).