1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene

C14H12ClFO — CID 69109634

IUPAC1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
SMILESFc1cccc(C(Cl)OCc2ccccc2)c1
InChIInChI=1S/C14H12ClFO/c15-14(12-7-4-8-13(16)9-12)17-10-11-5-2-1-3-6-11/h1-9,14H,10H2
InChIKeyDNXAGXUFXMCZEV-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.28
Rot. Bonds4

About 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene

1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene (PubChem CID 69109634) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
PubChem CID69109634
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
SMILESFc1cccc(C(Cl)OCc2ccccc2)c1
InChIInChI=1S/C14H12ClFO/c15-14(12-7-4-8-13(16)9-12)17-10-11-5-2-1-3-6-11/h1-9,14H,10H2
InChIKeyDNXAGXUFXMCZEV-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.28
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-[chloro(phenylmethoxy)methyl]naphthalene
CID 174397754
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzhydryloxymethylbenzene
CID 11437288
1-chloroethoxymethylbenzene
CID 12510706
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 59985516
benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
(2S)-N-chloro-4,4-bis(3-fluorophenyl)butan-2-amine
CID 89334160
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
benzyl N-[1-(3-fluorophenyl)-3-oxopropyl]carbamate
CID 20758956

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene?
The IUPAC name of 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene (CID 69109634) is 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene?
The canonical SMILES for 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene is Fc1cccc(C(Cl)OCc2ccccc2)c1.
What is the InChIKey of 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene?
The InChIKey is DNXAGXUFXMCZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c15-14(12-7-4-8-13(16)9-12)17-10-11-5-2-1-3-6-11/h1-9,14H,10H2.
What are the key properties of 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene?
1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene has a molecular weight of 250.70 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene is sourced from PubChem (CID 69109634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).