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

C14H13F2NO2 — CID 141293201

IUPACN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC(CO)(CF)CF)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13F2NO2/c15-5-14(6-16,7-18)17-13(19)10-2-1-9-11-3-8(11)4-12(9)10/h1-2,4,18H,3,5-7H2,(H,17,19)
InChIKeyCJAOULTYKQZAPU-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.28
Rot. Bonds5

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

N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293201) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293201
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC NameN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC(CO)(CF)CF)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13F2NO2/c15-5-14(6-16,7-18)17-13(19)10-2-1-9-11-3-8(11)4-12(9)10/h1-2,4,18H,3,5-7H2,(H,17,19)
InChIKeyCJAOULTYKQZAPU-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]pentalene-1-carboxamide
CID 141293088
N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293090
N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 141293186
N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405545
N-[1-(hydroxymethyl)cyclopropyl]pentalene-1-carboxamide
CID 140307376
N-(1,3-dihydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292832
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292843
N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292898
N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292942
N-[1-(hydroxymethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
CID 141292951
N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292954
N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292993

Frequently Asked Questions

What is the IUPAC name of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293201) is N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-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-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC(CO)(CF)CF)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is CJAOULTYKQZAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-5-14(6-16,7-18)17-13(19)10-2-1-9-11-3-8(11)4-12(9)10/h1-2,4,18H,3,5-7H2,(H,17,19).
What are the key properties of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).