N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide

C13H10F3NO — CID 141292979

IUPACN-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=C2C=CC=C2C=C1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12(6-7-12)17-11(18)10-5-4-8-2-1-3-9(8)10/h1-5H,6-7H2,(H,17,18)
InChIKeyXRJZBTRTQUZURD-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.56
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide (PubChem CID 141292979) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
PubChem CID141292979
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=C2C=CC=C2C=C1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12(6-7-12)17-11(18)10-5-4-8-2-1-3-9(8)10/h1-5H,6-7H2,(H,17,18)
InChIKeyXRJZBTRTQUZURD-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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)cyclobutyl]pentalene-1-carboxamide
CID 141293234
N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405536
N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405545
N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 158195101
N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
CID 157200112
N-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 157608954
N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293152
N-(1-methylcyclopropyl)pentalene-1-carboxamide
CID 160314979
N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 160604964

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide (CID 141292979) is N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide is O=C(NC1(C(F)(F)F)CC1)C1=C2C=CC=C2C=C1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide?
The InChIKey is XRJZBTRTQUZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)12(6-7-12)17-11(18)10-5-4-8-2-1-3-9(8)10/h1-5H,6-7H2,(H,17,18).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide has a molecular weight of 253.22 g/mol, XLogP of 2.56, 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]pentalene-1-carboxamide is sourced from PubChem (CID 141292979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).