1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene

C10H12F2O — CID 134558934

IUPAC1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
SMILESCc1ccc(F)c(OCC(C)F)c1
InChIInChI=1S/C10H12F2O/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,8H,6H2,1-2H3
InChIKeyRLGPFAROFQXVGA-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.87
Rot. Bonds3

About 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene

1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene (PubChem CID 134558934) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
PubChem CID134558934
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
SMILESCc1ccc(F)c(OCC(C)F)c1
InChIInChI=1S/C10H12F2O/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,8H,6H2,1-2H3
InChIKeyRLGPFAROFQXVGA-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(2-bromo-3,3,3-trifluoropropoxy)-1-fluoro-4-methylbenzene
CID 64855013
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene?
The IUPAC name of 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene (CID 134558934) is 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene.
What is the SMILES notation for 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene?
The canonical SMILES for 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene is Cc1ccc(F)c(OCC(C)F)c1.
What is the InChIKey of 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene?
The InChIKey is RLGPFAROFQXVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,8H,6H2,1-2H3.
What are the key properties of 1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene?
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.87, 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-fluoropropoxy)-4-methylbenzene is sourced from PubChem (CID 134558934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).