1-fluoro-4-(2-methoxyethyl)benzene

C9H11FO — CID 57143059

IUPAC1-fluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(F)cc1
InChIInChI=1S/C9H11FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLCYZOTPDJNXKES-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.01
Rot. Bonds3

About 1-fluoro-4-(2-methoxyethyl)benzene

1-fluoro-4-(2-methoxyethyl)benzene (PubChem CID 57143059) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-fluoro-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methoxyethyl)benzene
PubChem CID57143059
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name1-fluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(F)cc1
InChIInChI=1S/C9H11FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLCYZOTPDJNXKES-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methoxyethyl)benzene (CID 57143059) is 1-fluoro-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methoxyethyl)benzene is COCCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methoxyethyl)benzene?
The InChIKey is LCYZOTPDJNXKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-fluoro-4-(2-methoxyethyl)benzene?
1-fluoro-4-(2-methoxyethyl)benzene has a molecular weight of 154.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 57143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).