1-fluoro-2-(propan-2-yloxymethyl)benzene

C10H13FO — CID 10374819

IUPAC1-fluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
InChIKeyFRBWEWVQYBTMOF-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.75
Rot. Bonds3

About 1-fluoro-2-(propan-2-yloxymethyl)benzene

1-fluoro-2-(propan-2-yloxymethyl)benzene (PubChem CID 10374819) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-2-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(propan-2-yloxymethyl)benzene
PubChem CID10374819
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-fluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
InChIKeyFRBWEWVQYBTMOF-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-fluoro-2-(propan-2-yloxymethyl)benzene (CID 10374819) is 1-fluoro-2-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-fluoro-2-(propan-2-yloxymethyl)benzene is CC(C)OCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(propan-2-yloxymethyl)benzene?
The InChIKey is FRBWEWVQYBTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-fluoro-2-(propan-2-yloxymethyl)benzene?
1-fluoro-2-(propan-2-yloxymethyl)benzene has a molecular weight of 168.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 10374819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).