N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C15H14FNO — CID 158195101

IUPACN-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CF)CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H14FNO/c16-8-15(4-1-5-15)17-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7H,1,4-6,8H2,(H,17,18)
InChIKeyGAFZPYPHFFHDER-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 158195101) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID158195101
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC NameN-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CF)CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H14FNO/c16-8-15(4-1-5-15)17-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7H,1,4-6,8H2,(H,17,18)
InChIKeyGAFZPYPHFFHDER-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.50
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-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
CID 141292979
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293031
N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293234
N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405537
N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405538
2-Fluoro-8-methylidene-4-azaspiro[2.5]oct-6-en-5-one
CID 143770916
N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
CID 161038604
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292831
N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293152
N-(1-methylcyclobutyl)pentalene-1-carboxamide
CID 141293193
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-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 158195101) is N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(CF)CCC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is GAFZPYPHFFHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-8-15(4-1-5-15)17-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7H,1,4-6,8H2,(H,17,18).
What are the key properties of N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 243.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 158195101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).