4-(1-bromononyl)-2-fluoro-1-methoxybenzene

C16H24BrFO — CID 65426024

IUPAC4-(1-bromononyl)-2-fluoro-1-methoxybenzene
SMILESCCCCCCCCC(Br)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H24BrFO/c1-3-4-5-6-7-8-9-14(17)13-10-11-16(19-2)15(18)12-13/h10-12,14H,3-9H2,1-2H3
InChIKeyKZCKSIRWHRTOCB-UHFFFAOYSA-N
MW331.27 g/mol
LogP6.02
Rot. Bonds9

About 4-(1-bromononyl)-2-fluoro-1-methoxybenzene

4-(1-bromononyl)-2-fluoro-1-methoxybenzene (PubChem CID 65426024) has the molecular formula C16H24BrFO and a molecular weight of 331.27 g/mol. Its IUPAC name is 4-(1-bromononyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(1-bromononyl)-2-fluoro-1-methoxybenzene
PubChem CID65426024
Molecular FormulaC16H24BrFO
Molecular Weight331.27 g/mol
Exact Mass330.10
IUPAC Name4-(1-bromononyl)-2-fluoro-1-methoxybenzene
SMILESCCCCCCCCC(Br)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H24BrFO/c1-3-4-5-6-7-8-9-14(17)13-10-11-16(19-2)15(18)12-13/h10-12,14H,3-9H2,1-2H3
InChIKeyKZCKSIRWHRTOCB-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.27
LogP ≤ 56.02
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-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
2-bromo-4-(1-bromoheptyl)-1-ethoxybenzene
CID 114753725
2-bromo-4-(1-bromononyl)-1-propoxybenzene
CID 104662164
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
4-(1-bromo-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61098601
2-(1-bromoheptyl)-1,3-difluoro-5-methoxybenzene
CID 114753540
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromononyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(1-bromononyl)-2-fluoro-1-methoxybenzene (CID 65426024) is 4-(1-bromononyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(1-bromononyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(1-bromononyl)-2-fluoro-1-methoxybenzene is CCCCCCCCC(Br)c1ccc(OC)c(F)c1.
What is the InChIKey of 4-(1-bromononyl)-2-fluoro-1-methoxybenzene?
The InChIKey is KZCKSIRWHRTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFO/c1-3-4-5-6-7-8-9-14(17)13-10-11-16(19-2)15(18)12-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-(1-bromononyl)-2-fluoro-1-methoxybenzene?
4-(1-bromononyl)-2-fluoro-1-methoxybenzene has a molecular weight of 331.27 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromononyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 65426024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).