2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene

C14H17F3 — CID 142529767

IUPAC2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene
SMILESCCC1CC(c2ccc(F)cc2C(C)(F)F)C1
InChIInChI=1S/C14H17F3/c1-3-9-6-10(7-9)12-5-4-11(15)8-13(12)14(2,16)17/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyCHLCHLYCKQEALH-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.84
Rot. Bonds3

About 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene

2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene (PubChem CID 142529767) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene
PubChem CID142529767
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene
SMILESCCC1CC(c2ccc(F)cc2C(C)(F)F)C1
InChIInChI=1S/C14H17F3/c1-3-9-6-10(7-9)12-5-4-11(15)8-13(12)14(2,16)17/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyCHLCHLYCKQEALH-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192043
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 126625151
3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63821741
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174848374
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
CID 146184894
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene?
The IUPAC name of 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene (CID 142529767) is 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene is CCC1CC(c2ccc(F)cc2C(C)(F)F)C1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene?
The InChIKey is CHLCHLYCKQEALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-3-9-6-10(7-9)12-5-4-11(15)8-13(12)14(2,16)17/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene?
2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene has a molecular weight of 242.28 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-(3-ethylcyclobutyl)-4-fluorobenzene is sourced from PubChem (CID 142529767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).