N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H18FNO — CID 141347263

IUPACN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CF)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H18FNO/c1-16(2,3)14(8-17)18-15(19)11-5-4-10-12-6-9(12)7-13(10)11/h4-5,7,14H,6,8H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyIKCDARPDQVTRAY-CQSZACIVSA-N
MW259.32 g/mol
LogP2.99
Rot. Bonds3

About N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141347263) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141347263
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CF)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H18FNO/c1-16(2,3)14(8-17)18-15(19)11-5-4-10-12-6-9(12)7-13(10)11/h4-5,7,14H,6,8H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyIKCDARPDQVTRAY-CQSZACIVSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141347263) is N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(C)[C@@H](CF)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is IKCDARPDQVTRAY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(2,3)14(8-17)18-15(19)11-5-4-10-12-6-9(12)7-13(10)11/h4-5,7,14H,6,8H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 259.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).