N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide

C10H10F3NO — CID 157200112

IUPACN-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=CC=CC1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15)
InChIKeyAQRXBMJJKHOHTG-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.08
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 157200112) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID157200112
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=CC=CC1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15)
InChIKeyAQRXBMJJKHOHTG-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
CID 140669758
N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292845
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292959
N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
CID 141292979
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
2-Fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
CID 143770916
N-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 157608954
N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
CID 161038604
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
2-Fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one;molecular hydrogen
CID 143770915

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide (CID 157200112) is N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide is O=C(NC1(C(F)(F)F)CC1)C1=CC=CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is AQRXBMJJKHOHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 217.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 157200112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).