1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene

C14H17F3 — CID 118423626

IUPAC1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)C[C@H]1C
InChIInChI=1S/C14H17F3/c1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyCRZCLXXYKDYROG-GRZMOONWSA-N
MW242.28 g/mol
LogP4.86
Rot. Bonds1

About 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene

1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene (PubChem CID 118423626) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
PubChem CID118423626
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)C[C@H]1C
InChIInChI=1S/C14H17F3/c1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyCRZCLXXYKDYROG-GRZMOONWSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 156800900
(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 175550564
N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine
CID 139610708
1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene
CID 102423314
1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide
CID 175101882
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 64514395
5-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 175777425
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 3540131
2-ethoxy-6-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868846

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene (CID 118423626) is 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene is CC1CC(c2ccc(C(F)(F)F)cc2)C[C@H]1C.
What is the InChIKey of 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene?
The InChIKey is CRZCLXXYKDYROG-GRZMOONWSA-N. The full InChI is InChI=1S/C14H17F3/c1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene?
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene has a molecular weight of 242.28 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 118423626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).