2-ethyl-1-fluoro-4-(fluoromethoxy)benzene

C9H10F2O — CID 118671621

IUPAC2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
SMILESCCc1cc(OCF)ccc1F
InChIInChI=1S/C9H10F2O/c1-2-7-5-8(12-6-10)3-4-9(7)11/h3-5H,2,6H2,1H3
InChIKeyWAEUYWVRJBLFPA-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.69
Rot. Bonds3

About 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene

2-ethyl-1-fluoro-4-(fluoromethoxy)benzene (PubChem CID 118671621) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
PubChem CID118671621
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
SMILESCCc1cc(OCF)ccc1F
InChIInChI=1S/C9H10F2O/c1-2-7-5-8(12-6-10)3-4-9(7)11/h3-5H,2,6H2,1H3
InChIKeyWAEUYWVRJBLFPA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-ethyl-1,4-difluorobenzene
CID 23202513
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
3-ethyl-4-fluorobenzenethiol
CID 91874078
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-ethyl-4-fluoro-2-(fluoromethoxy)benzene
CID 121285035
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
CID 135217148
2-ethyl-1,4-difluorobenzene;octane
CID 144692824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene?
The IUPAC name of 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene (CID 118671621) is 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene.
What is the SMILES notation for 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene?
The canonical SMILES for 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene is CCc1cc(OCF)ccc1F.
What is the InChIKey of 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene?
The InChIKey is WAEUYWVRJBLFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-2-7-5-8(12-6-10)3-4-9(7)11/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene?
2-ethyl-1-fluoro-4-(fluoromethoxy)benzene has a molecular weight of 172.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-4-(fluoromethoxy)benzene is sourced from PubChem (CID 118671621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).