1-fluoro-4-(propoxymethyl)benzene

C10H13FO — CID 22977304

IUPAC1-fluoro-4-(propoxymethyl)benzene
SMILESCCCOCc1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyKQYQGKVRDCYEAK-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.75
Rot. Bonds4

About 1-fluoro-4-(propoxymethyl)benzene

1-fluoro-4-(propoxymethyl)benzene (PubChem CID 22977304) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-4-(propoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(propoxymethyl)benzene
PubChem CID22977304
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-fluoro-4-(propoxymethyl)benzene
SMILESCCCOCc1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyKQYQGKVRDCYEAK-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(propoxymethyl)benzene?
The IUPAC name of 1-fluoro-4-(propoxymethyl)benzene (CID 22977304) is 1-fluoro-4-(propoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(propoxymethyl)benzene?
The canonical SMILES for 1-fluoro-4-(propoxymethyl)benzene is CCCOCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(propoxymethyl)benzene?
The InChIKey is KQYQGKVRDCYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-fluoro-4-(propoxymethyl)benzene?
1-fluoro-4-(propoxymethyl)benzene has a molecular weight of 168.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(propoxymethyl)benzene is sourced from PubChem (CID 22977304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).