1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene

C14H15F5 — CID 146290361

IUPAC1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)C2CCC2)c1
InChIInChI=1S/C14H15F5/c1-2-9-6-11(8-12(7-9)14(17,18)19)13(15,16)10-4-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyCUWGIZATTBLSNG-UHFFFAOYSA-N
MW278.26 g/mol
LogP5.16
Rot. Bonds3

About 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene

1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene (PubChem CID 146290361) has the molecular formula C14H15F5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene
PubChem CID146290361
Molecular FormulaC14H15F5
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)C2CCC2)c1
InChIInChI=1S/C14H15F5/c1-2-9-6-11(8-12(7-9)14(17,18)19)13(15,16)10-4-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyCUWGIZATTBLSNG-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium
CID 167488419
1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine
CID 155062170
1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
CID 91876365
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
ethyl 4-[cyclobutyl(difluoro)methyl]benzoate
CID 69437235
3-butan-2-yl-1-[[3-ethyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 165142936

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene (CID 146290361) is 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene is CCc1cc(C(F)(F)F)cc(C(F)(F)C2CCC2)c1.
What is the InChIKey of 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene?
The InChIKey is CUWGIZATTBLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5/c1-2-9-6-11(8-12(7-9)14(17,18)19)13(15,16)10-4-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene?
1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene has a molecular weight of 278.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 146290361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).