fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal

C20H32F2O3 — CID 142526280

IUPACfluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
SMILESCCCCCCCOc1ccc(/C=C/C=O)cc1.CCF.COCF
InChIInChI=1S/C16H22O2.C2H5FO.C2H5F/c1-2-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17;1-4-2-3;1-2-3/h7-13H,2-6,14H2,1H3;2H2,1H3;2H2,1H3/b8-7+;;
InChIKeyAECSJAGFUJAGBG-MIIBGCIDSA-N
MW358.47 g/mol
LogP5.78
Rot. Bonds10

About fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal

fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal (PubChem CID 142526280) has the molecular formula C20H32F2O3 and a molecular weight of 358.47 g/mol. Its IUPAC name is fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal.

Molecular Properties

Compound Namefluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
PubChem CID142526280
Molecular FormulaC20H32F2O3
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Namefluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
SMILESCCCCCCCOc1ccc(/C=C/C=O)cc1.CCF.COCF
InChIInChI=1S/C16H22O2.C2H5FO.C2H5F/c1-2-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17;1-4-2-3;1-2-3/h7-13H,2-6,14H2,1H3;2H2,1H3;2H2,1H3/b8-7+;;
InChIKeyAECSJAGFUJAGBG-MIIBGCIDSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
CID 15500974
4-icosoxybenzaldehyde
CID 23127488
methyl (2E,4Z)-5-(4-octoxyphenyl)penta-2,4-dienoate
CID 5372840
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
4-[(1E,3E)-4-(4-hexadecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101352465
4-[(1E,3E)-4-(4-dodecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101332752
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal?
The IUPAC name of fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal (CID 142526280) is fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal.
What is the SMILES notation for fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal?
The canonical SMILES for fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal is CCCCCCCOc1ccc(/C=C/C=O)cc1.CCF.COCF.
What is the InChIKey of fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal?
The InChIKey is AECSJAGFUJAGBG-MIIBGCIDSA-N. The full InChI is InChI=1S/C16H22O2.C2H5FO.C2H5F/c1-2-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17;1-4-2-3;1-2-3/h7-13H,2-6,14H2,1H3;2H2,1H3;2H2,1H3/b8-7+;;.
What are the key properties of fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal?
fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal has a molecular weight of 358.47 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal is sourced from PubChem (CID 142526280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).