2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene

C10H11F3O — CID 71232413

IUPAC2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
SMILESCCc1ccc(F)c(OC(C)(F)F)c1
InChIInChI=1S/C10H11F3O/c1-3-7-4-5-8(11)9(6-7)14-10(2,12)13/h4-6H,3H2,1-2H3
InChIKeyLQDCZPSUHPEXGD-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.38
Rot. Bonds3

About 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene

2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene (PubChem CID 71232413) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
PubChem CID71232413
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
SMILESCCc1ccc(F)c(OC(C)(F)F)c1
InChIInChI=1S/C10H11F3O/c1-3-7-4-5-8(11)9(6-7)14-10(2,12)13/h4-6H,3H2,1-2H3
InChIKeyLQDCZPSUHPEXGD-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene
CID 134271412
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
2-[2-fluoro-5-(sulfanylmethyl)phenoxy]-2-methylpropanoic acid
CID 143689271
4-(3-chloropropyl)-1-fluoro-2-(trifluoromethoxy)benzene
CID 118818887
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
5-ethyl-2-fluoroaniline
CID 10630567
1-[4-ethyl-2-(trifluoromethoxy)phenyl]ethanone
CID 170909582

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene?
The IUPAC name of 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene (CID 71232413) is 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene.
What is the SMILES notation for 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene?
The canonical SMILES for 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene is CCc1ccc(F)c(OC(C)(F)F)c1.
What is the InChIKey of 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene?
The InChIKey is LQDCZPSUHPEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-3-7-4-5-8(11)9(6-7)14-10(2,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene?
2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene has a molecular weight of 204.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene is sourced from PubChem (CID 71232413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).