[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene

C17H19F3O — CID 134971813

IUPAC[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene
SMILESFC(F)(F)C(OC/C=C/c1ccccc1)C1C=CCCC1
InChIInChI=1S/C17H19F3O/c18-17(19,20)16(15-11-5-2-6-12-15)21-13-7-10-14-8-3-1-4-9-14/h1,3-5,7-11,15-16H,2,6,12-13H2/b10-7+
InChIKeyNQZSISRGAGGWGN-JXMROGBWSA-N
MW296.33 g/mol
LogP5.00
Rot. Bonds5

About [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene

[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene (PubChem CID 134971813) has the molecular formula C17H19F3O and a molecular weight of 296.33 g/mol. Its IUPAC name is [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene
PubChem CID134971813
Molecular FormulaC17H19F3O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene
SMILESFC(F)(F)C(OC/C=C/c1ccccc1)C1C=CCCC1
InChIInChI=1S/C17H19F3O/c18-17(19,20)16(15-11-5-2-6-12-15)21-13-7-10-14-8-3-1-4-9-14/h1,3-5,7-11,15-16H,2,6,12-13H2/b10-7+
InChIKeyNQZSISRGAGGWGN-JXMROGBWSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.33
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1'-[Oxybis(2,2,2-trifluoro-1,1-ethanediyl)]dibenzene
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(2,2,2-Trifluoro-1-methoxyethyl)benzene
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CID 58479340
3,4-Difluorobenzyl alcohol, isopropyl ether
CID 60102664
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
2-(1,1-Difluoroprop-1-en-2-yl)-3-(2-phenylethyl)oxirane
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CID 12865306

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene (CID 134971813) is [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene is FC(F)(F)C(OC/C=C/c1ccccc1)C1C=CCCC1.
What is the InChIKey of [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene?
The InChIKey is NQZSISRGAGGWGN-JXMROGBWSA-N. The full InChI is InChI=1S/C17H19F3O/c18-17(19,20)16(15-11-5-2-6-12-15)21-13-7-10-14-8-3-1-4-9-14/h1,3-5,7-11,15-16H,2,6,12-13H2/b10-7+.
What are the key properties of [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene?
[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene has a molecular weight of 296.33 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene is sourced from PubChem (CID 134971813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).