1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

C19H18F3NO — CID 160973620

IUPAC1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCC1(C)[C@H](C(=O)Cc2ccnc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChIInChI=1S/C19H18F3NO/c1-18(2)16(13-6-4-3-5-7-13)17(18)14(24)10-12-8-9-23-15(11-12)19(20,21)22/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m1/s1
InChIKeySYOOSJVUUPGOMQ-IAGOWNOFSA-N
MW333.35 g/mol
LogP4.65
Rot. Bonds4

About 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (PubChem CID 160973620) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
PubChem CID160973620
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCC1(C)[C@H](C(=O)Cc2ccnc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChIInChI=1S/C19H18F3NO/c1-18(2)16(13-6-4-3-5-7-13)17(18)14(24)10-12-8-9-23-15(11-12)19(20,21)22/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m1/s1
InChIKeySYOOSJVUUPGOMQ-IAGOWNOFSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (CID 160973620) is 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is CC1(C)[C@H](C(=O)Cc2ccnc(C(F)(F)F)c2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is SYOOSJVUUPGOMQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-18(2)16(13-6-4-3-5-7-13)17(18)14(24)10-12-8-9-23-15(11-12)19(20,21)22/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 333.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 160973620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).