N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

C10H14FNO — CID 141293212

IUPACN-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H14FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyHTJKONJCZGIRKO-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.74
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 141293212) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID141293212
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H14FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyHTJKONJCZGIRKO-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.74
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-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292879
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292959
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293031
N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
CID 143484621
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920331
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333
2-methyl-N-(1,3,5-trifluorocyclohexa-2,4-dien-1-yl)prop-2-enamide
CID 151071502
5-fluoro-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 162777670
3-ethyl-5-fluoro-6-methyl-1H-pyridin-2-one
CID 167302086
6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one
CID 176560496

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (CID 141293212) is N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is CC(C)(CF)NC(=O)C1=CC=CC1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is HTJKONJCZGIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 141293212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).