[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene

C14H17F3O — CID 162559957

IUPAC[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
SMILESFC(F)(F)C/C=C/CCCOCc1ccccc1
InChIInChI=1S/C14H17F3O/c15-14(16,17)10-6-1-2-7-11-18-12-13-8-4-3-5-9-13/h1,3-6,8-9H,2,7,10-12H2/b6-1+
InChIKeyDKZZIAUNQLBMHN-LZCJLJQNSA-N
MW258.28 g/mol
LogP4.49
Rot. Bonds7

About [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene

[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene (PubChem CID 162559957) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
PubChem CID162559957
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
SMILESFC(F)(F)C/C=C/CCCOCc1ccccc1
InChIInChI=1S/C14H17F3O/c15-14(16,17)10-6-1-2-7-11-18-12-13-8-4-3-5-9-13/h1,3-6,8-9H,2,7,10-12H2/b6-1+
InChIKeyDKZZIAUNQLBMHN-LZCJLJQNSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
undec-4-enoxymethylbenzene
CID 158781580
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
5-nitropent-4-enoxymethylbenzene
CID 85369465
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
CID 10955854
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514

Frequently Asked Questions

What is the IUPAC name of [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene?
The IUPAC name of [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene (CID 162559957) is [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene.
What is the SMILES notation for [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene?
The canonical SMILES for [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene is FC(F)(F)C/C=C/CCCOCc1ccccc1.
What is the InChIKey of [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene?
The InChIKey is DKZZIAUNQLBMHN-LZCJLJQNSA-N. The full InChI is InChI=1S/C14H17F3O/c15-14(16,17)10-6-1-2-7-11-18-12-13-8-4-3-5-9-13/h1,3-6,8-9H,2,7,10-12H2/b6-1+.
What are the key properties of [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene?
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene has a molecular weight of 258.28 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene is sourced from PubChem (CID 162559957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).