ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene

C18H26F2O — CID 156880455

IUPACethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
SMILESCC.CC.COc1ccc(F)cc1.Cc1ccccc1F
InChIInChI=1S/C7H7FO.C7H7F.2C2H6/c1-9-7-4-2-6(8)3-5-7;1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3
InChIKeyMBBBIMALVVHRJR-UHFFFAOYSA-N
MW296.40 g/mol
LogP6.02
Rot. Bonds1

About ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene

ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene (PubChem CID 156880455) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
PubChem CID156880455
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Nameethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
SMILESCC.CC.COc1ccc(F)cc1.Cc1ccccc1F
InChIInChI=1S/C7H7FO.C7H7F.2C2H6/c1-9-7-4-2-6(8)3-5-7;1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3
InChIKeyMBBBIMALVVHRJR-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
anisole;1,2-difluorobenzene;1,4-difluorobenzene;fluorobenzene;bis(1-fluoro-2-methoxybenzene);2-fluoro-1-methoxy-3-methylbenzene
CID 158254402
1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
CID 144540679
anisole;1,2-difluorobenzene
CID 158594805
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
acetylene;1-fluoro-2-methylbenzene
CID 175248306
1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
CID 177181155
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene?
The IUPAC name of ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene (CID 156880455) is ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene.
What is the SMILES notation for ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene?
The canonical SMILES for ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene is CC.CC.COc1ccc(F)cc1.Cc1ccccc1F.
What is the InChIKey of ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene?
The InChIKey is MBBBIMALVVHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.C7H7F.2C2H6/c1-9-7-4-2-6(8)3-5-7;1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene?
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene has a molecular weight of 296.40 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene is sourced from PubChem (CID 156880455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).