1,2-difluoro-4-(2-methoxyethyl)benzene

C9H10F2O — CID 18372069

IUPAC1,2-difluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2O/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyATFFIURATLQVHW-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.15
Rot. Bonds3

About 1,2-difluoro-4-(2-methoxyethyl)benzene

1,2-difluoro-4-(2-methoxyethyl)benzene (PubChem CID 18372069) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methoxyethyl)benzene
PubChem CID18372069
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1,2-difluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2O/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyATFFIURATLQVHW-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 90172032
CID 90172032
(3,4-difluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099736
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methoxyethyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methoxyethyl)benzene (CID 18372069) is 1,2-difluoro-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methoxyethyl)benzene is COCCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-methoxyethyl)benzene?
The InChIKey is ATFFIURATLQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 1,2-difluoro-4-(2-methoxyethyl)benzene?
1,2-difluoro-4-(2-methoxyethyl)benzene has a molecular weight of 172.17 g/mol, XLogP of 2.15, 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-(2-methoxyethyl)benzene is sourced from PubChem (CID 18372069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).