2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene

C14H18ClFO — CID 107698926

IUPAC2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
SMILESFc1ccc(OCC2CCCCC2)c(CCl)c1
InChIInChI=1S/C14H18ClFO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChIKeyWOLWCOWZYOENOK-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.52
Rot. Bonds4

About 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene

2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene (PubChem CID 107698926) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
PubChem CID107698926
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
SMILESFc1ccc(OCC2CCCCC2)c(CCl)c1
InChIInChI=1S/C14H18ClFO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChIKeyWOLWCOWZYOENOK-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.52
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

[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-nitrobenzene
CID 43472996
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
2-(4-chlorobut-1-ynyl)-1-(cyclopentylmethoxy)-4-fluorobenzene
CID 55197478
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
CID 84700745
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene?
The IUPAC name of 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene (CID 107698926) is 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene?
The canonical SMILES for 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene is Fc1ccc(OCC2CCCCC2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene?
The InChIKey is WOLWCOWZYOENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2.
What are the key properties of 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene?
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene has a molecular weight of 256.75 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene is sourced from PubChem (CID 107698926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).