1-(chloromethyl)-3-fluoro-2-nonoxybenzene

C16H24ClFO — CID 112613670

IUPAC1-(chloromethyl)-3-fluoro-2-nonoxybenzene
SMILESCCCCCCCCCOc1c(F)cccc1CCl
InChIInChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3
InChIKeyYEVDSPXWIBGKLX-UHFFFAOYSA-N
MW286.82 g/mol
LogP5.69
Rot. Bonds10

About 1-(chloromethyl)-3-fluoro-2-nonoxybenzene

1-(chloromethyl)-3-fluoro-2-nonoxybenzene (PubChem CID 112613670) has the molecular formula C16H24ClFO and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluoro-2-nonoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluoro-2-nonoxybenzene
PubChem CID112613670
Molecular FormulaC16H24ClFO
Molecular Weight286.82 g/mol
Exact Mass286.15
IUPAC Name1-(chloromethyl)-3-fluoro-2-nonoxybenzene
SMILESCCCCCCCCCOc1c(F)cccc1CCl
InChIInChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3
InChIKeyYEVDSPXWIBGKLX-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.82
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
3-fluoro-2-hexoxyaniline
CID 104831272
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 112613725

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-fluoro-2-nonoxybenzene?
The IUPAC name of 1-(chloromethyl)-3-fluoro-2-nonoxybenzene (CID 112613670) is 1-(chloromethyl)-3-fluoro-2-nonoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluoro-2-nonoxybenzene?
The canonical SMILES for 1-(chloromethyl)-3-fluoro-2-nonoxybenzene is CCCCCCCCCOc1c(F)cccc1CCl.
What is the InChIKey of 1-(chloromethyl)-3-fluoro-2-nonoxybenzene?
The InChIKey is YEVDSPXWIBGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 1-(chloromethyl)-3-fluoro-2-nonoxybenzene?
1-(chloromethyl)-3-fluoro-2-nonoxybenzene has a molecular weight of 286.82 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-fluoro-2-nonoxybenzene is sourced from PubChem (CID 112613670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).