1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene

C11H14ClFO — CID 134202097

IUPAC1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene
SMILESCC(CCCl)OCc1ccccc1F
InChIInChI=1S/C11H14ClFO/c1-9(6-7-12)14-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3
InChIKeyGGZFMKORZIKFOA-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene

1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene (PubChem CID 134202097) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene
PubChem CID134202097
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene
SMILESCC(CCCl)OCc1ccccc1F
InChIInChI=1S/C11H14ClFO/c1-9(6-7-12)14-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3
InChIKeyGGZFMKORZIKFOA-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
CID 63935715
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
CID 63936975
2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63937189
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)propan-1-ol
CID 63935953
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
CID 63935925
4-bromo-2-fluoro-1-(pentan-2-yloxymethyl)benzene
CID 102983194
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene?
The IUPAC name of 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene (CID 134202097) is 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene?
The canonical SMILES for 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene is CC(CCCl)OCc1ccccc1F.
What is the InChIKey of 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene?
The InChIKey is GGZFMKORZIKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-9(6-7-12)14-8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene?
1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene has a molecular weight of 216.68 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene is sourced from PubChem (CID 134202097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).