1-ethoxy-4-(fluoromethoxy)benzene

C9H11FO2 — CID 21036002

IUPAC1-ethoxy-4-(fluoromethoxy)benzene
SMILESCCOc1ccc(OCF)cc1
InChIInChI=1S/C9H11FO2/c1-2-11-8-3-5-9(6-4-8)12-7-10/h3-6H,2,7H2,1H3
InChIKeyXKNRQXWXFCIMRE-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.39
Rot. Bonds4

About 1-ethoxy-4-(fluoromethoxy)benzene

1-ethoxy-4-(fluoromethoxy)benzene (PubChem CID 21036002) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-ethoxy-4-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(fluoromethoxy)benzene
PubChem CID21036002
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-ethoxy-4-(fluoromethoxy)benzene
SMILESCCOc1ccc(OCF)cc1
InChIInChI=1S/C9H11FO2/c1-2-11-8-3-5-9(6-4-8)12-7-10/h3-6H,2,7H2,1H3
InChIKeyXKNRQXWXFCIMRE-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-ethoxybenzene
CID 91392612
ethoxybenzene tetrafluoroborate
CID 174807216
CID 174603663
CID 174603663
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(fluoromethoxy)benzene?
The IUPAC name of 1-ethoxy-4-(fluoromethoxy)benzene (CID 21036002) is 1-ethoxy-4-(fluoromethoxy)benzene.
What is the SMILES notation for 1-ethoxy-4-(fluoromethoxy)benzene?
The canonical SMILES for 1-ethoxy-4-(fluoromethoxy)benzene is CCOc1ccc(OCF)cc1.
What is the InChIKey of 1-ethoxy-4-(fluoromethoxy)benzene?
The InChIKey is XKNRQXWXFCIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-2-11-8-3-5-9(6-4-8)12-7-10/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethoxy-4-(fluoromethoxy)benzene?
1-ethoxy-4-(fluoromethoxy)benzene has a molecular weight of 170.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(fluoromethoxy)benzene is sourced from PubChem (CID 21036002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).