1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene

C15H14F2O — CID 105409859

IUPAC1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
SMILESCCc1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H14F2O/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h3-9H,2,10H2,1H3
InChIKeyRKVGWVIEMCZUCP-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.11
Rot. Bonds4

About 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene

1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene (PubChem CID 105409859) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
PubChem CID105409859
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
SMILESCCc1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H14F2O/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h3-9H,2,10H2,1H3
InChIKeyRKVGWVIEMCZUCP-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
CID 46044362
3-[3-[(3-ethylphenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697897
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
CID 105404414
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
[3-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 79700938
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene?
The IUPAC name of 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene (CID 105409859) is 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene is CCc1cccc(OCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene?
The InChIKey is RKVGWVIEMCZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene?
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene has a molecular weight of 248.27 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene is sourced from PubChem (CID 105409859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).