1-fluoro-2-(2-methoxypropyl)benzene

C10H13FO — CID 57099753

IUPAC1-fluoro-2-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
InChIKeyTWUXPBWAJWJYIF-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.40
Rot. Bonds3

About 1-fluoro-2-(2-methoxypropyl)benzene

1-fluoro-2-(2-methoxypropyl)benzene (PubChem CID 57099753) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-2-(2-methoxypropyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-methoxypropyl)benzene
PubChem CID57099753
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-fluoro-2-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
InChIKeyTWUXPBWAJWJYIF-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methoxypropyl)benzene?
The IUPAC name of 1-fluoro-2-(2-methoxypropyl)benzene (CID 57099753) is 1-fluoro-2-(2-methoxypropyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-methoxypropyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-methoxypropyl)benzene is COC(C)Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-methoxypropyl)benzene?
The InChIKey is TWUXPBWAJWJYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-fluoro-2-(2-methoxypropyl)benzene?
1-fluoro-2-(2-methoxypropyl)benzene has a molecular weight of 168.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methoxypropyl)benzene is sourced from PubChem (CID 57099753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).