N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H12F3NO2 — CID 141293090

IUPACN-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(N[C@@H](CO)CC(F)(F)F)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)5-8(6-19)18-13(20)10-2-1-9-11-3-7(11)4-12(9)10/h1-2,4,8,19H,3,5-6H2,(H,18,20)/t8-/m1/s1
InChIKeyVCSFLJPCKXBMKM-MRVPVSSYSA-N
MW283.25 g/mol
LogP1.92
Rot. Bonds4

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

N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293090) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293090
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC NameN-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(N[C@@H](CO)CC(F)(F)F)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)5-8(6-19)18-13(20)10-2-1-9-11-3-7(11)4-12(9)10/h1-2,4,8,19H,3,5-6H2,(H,18,20)/t8-/m1/s1
InChIKeyVCSFLJPCKXBMKM-MRVPVSSYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of 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) is N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(N[C@@H](CO)CC(F)(F)F)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is VCSFLJPCKXBMKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)5-8(6-19)18-13(20)10-2-1-9-11-3-7(11)4-12(9)10/h1-2,4,8,19H,3,5-6H2,(H,18,20)/t8-/m1/s1.
What are the key properties of N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).