1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene

C19H29FO — CID 54214742

IUPAC1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene
SMILESC=CC(C)c1cccc(F)c1OC(C)CCCCCCC
InChIInChI=1S/C19H29FO/c1-5-7-8-9-10-12-16(4)21-19-17(15(3)6-2)13-11-14-18(19)20/h6,11,13-16H,2,5,7-10,12H2,1,3-4H3
InChIKeyPYJOEEACOYSLBQ-UHFFFAOYSA-N
MW292.44 g/mol
LogP6.24
Rot. Bonds10

About 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene

1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene (PubChem CID 54214742) has the molecular formula C19H29FO and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene
PubChem CID54214742
Molecular FormulaC19H29FO
Molecular Weight292.44 g/mol
Exact Mass292.22
IUPAC Name1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene
SMILESC=CC(C)c1cccc(F)c1OC(C)CCCCCCC
InChIInChI=1S/C19H29FO/c1-5-7-8-9-10-12-16(4)21-19-17(15(3)6-2)13-11-14-18(19)20/h6,11,13-16H,2,5,7-10,12H2,1,3-4H3
InChIKeyPYJOEEACOYSLBQ-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 56.24
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

1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
CID 114058524
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
CID 43285741
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-(2-fluorophenyl)-1-octan-2-yloxybutan-2-amine
CID 63459546
decan-2-yloxybenzene
CID 12838331
1-(2-bromo-3-fluorophenyl)nonan-1-amine
CID 115835760
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene?
The IUPAC name of 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene (CID 54214742) is 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene.
What is the SMILES notation for 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene?
The canonical SMILES for 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene is C=CC(C)c1cccc(F)c1OC(C)CCCCCCC.
What is the InChIKey of 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene?
The InChIKey is PYJOEEACOYSLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FO/c1-5-7-8-9-10-12-16(4)21-19-17(15(3)6-2)13-11-14-18(19)20/h6,11,13-16H,2,5,7-10,12H2,1,3-4H3.
What are the key properties of 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene?
1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene has a molecular weight of 292.44 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene is sourced from PubChem (CID 54214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).