1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene

C16H14F2O — CID 122382363

IUPAC1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
SMILESC=CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h2-10,16H,1,11H2
InChIKeyCNXRDQHJXZCBNP-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.26
Rot. Bonds5

About 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene

1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene (PubChem CID 122382363) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
PubChem CID122382363
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
SMILESC=CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h2-10,16H,1,11H2
InChIKeyCNXRDQHJXZCBNP-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene
CID 132607653
1-[4-[[4-(2,5-dihydroxypyrrol-1-yl)phenyl]-prop-2-enoxymethyl]phenyl]pyrrole-2,5-diol
CID 57194947
4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
CID 21187771
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
2-[bis(4-fluorophenyl)methoxymethyl]piperidine
CID 171986478
O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
CID 22989786
1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene
CID 69207509
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860
(2R)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191859
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene?
The IUPAC name of 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene (CID 122382363) is 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene is C=CCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene?
The InChIKey is CNXRDQHJXZCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h2-10,16H,1,11H2.
What are the key properties of 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene?
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene has a molecular weight of 260.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene is sourced from PubChem (CID 122382363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).