1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene

C14H17F3 — CID 169171689

IUPAC1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene
SMILESCCC1CC(c2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3/c1-2-10-7-13(8-10)12-5-3-11(4-6-12)9-14(15,16)17/h3-6,10,13H,2,7-9H2,1H3
InChIKeyLEOILCCAHHKRKO-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.70
Rot. Bonds3

About 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene

1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 169171689) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene
PubChem CID169171689
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene
SMILESCCC1CC(c2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3/c1-2-10-7-13(8-10)12-5-3-11(4-6-12)9-14(15,16)17/h3-6,10,13H,2,7-9H2,1H3
InChIKeyLEOILCCAHHKRKO-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 67779004
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
1-(4-heptylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene;1-(4-octylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene
CID 88511829
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene (CID 169171689) is 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene is CCC1CC(c2ccc(CC(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is LEOILCCAHHKRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-2-10-7-13(8-10)12-5-3-11(4-6-12)9-14(15,16)17/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene?
1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 242.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 169171689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).