1,2-difluoro-4-methoxybenzene;ethane;pentane

C14H24F2O — CID 144721710

IUPAC1,2-difluoro-4-methoxybenzene;ethane;pentane
SMILESCC.CCCCC.COc1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2O.C5H12.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-3-5-4-2;1-2/h2-4H,1H3;3-5H2,1-2H3;1-2H3
InChIKeyBHHQRCUMSXXHSA-UHFFFAOYSA-N
MW246.34 g/mol
LogP5.20
Rot. Bonds3

About 1,2-difluoro-4-methoxybenzene;ethane;pentane

1,2-difluoro-4-methoxybenzene;ethane;pentane (PubChem CID 144721710) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1,2-difluoro-4-methoxybenzene;ethane;pentane.

Molecular Properties

Compound Name1,2-difluoro-4-methoxybenzene;ethane;pentane
PubChem CID144721710
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1,2-difluoro-4-methoxybenzene;ethane;pentane
SMILESCC.CCCCC.COc1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2O.C5H12.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-3-5-4-2;1-2/h2-4H,1H3;3-5H2,1-2H3;1-2H3
InChIKeyBHHQRCUMSXXHSA-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-methoxybenzene;oxolane
CID 174837143
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
2-fluoro-4-methoxyaniline
CID 3756383
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium
CID 59280650

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methoxybenzene;ethane;pentane?
The IUPAC name of 1,2-difluoro-4-methoxybenzene;ethane;pentane (CID 144721710) is 1,2-difluoro-4-methoxybenzene;ethane;pentane.
What is the SMILES notation for 1,2-difluoro-4-methoxybenzene;ethane;pentane?
The canonical SMILES for 1,2-difluoro-4-methoxybenzene;ethane;pentane is CC.CCCCC.COc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-methoxybenzene;ethane;pentane?
The InChIKey is BHHQRCUMSXXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O.C5H12.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-3-5-4-2;1-2/h2-4H,1H3;3-5H2,1-2H3;1-2H3.
What are the key properties of 1,2-difluoro-4-methoxybenzene;ethane;pentane?
1,2-difluoro-4-methoxybenzene;ethane;pentane has a molecular weight of 246.34 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methoxybenzene;ethane;pentane is sourced from PubChem (CID 144721710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).