N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H14FNO — CID 141292845

IUPACN-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(CF)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H14FNO/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17)
InChIKeyCGUPRMJWHMBICT-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.36
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292845) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292845
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(CF)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H14FNO/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17)
InChIKeyCGUPRMJWHMBICT-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.36
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)pentalene-1-carboxamide
CID 141292879
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
N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405539
N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405541
N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 158195101
2-Fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
CID 143770916
N-[1-(trifluoromethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
CID 157200112
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292831
N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293111

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292845) is N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(CF)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is CGUPRMJWHMBICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 231.27 g/mol, XLogP of 2.36, 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)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).