2,3-difluoropropoxymethylbenzene

C10H12F2O — CID 86233522

IUPAC2,3-difluoropropoxymethylbenzene
SMILESFCC(F)COCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyBJNRJRSNEGANEL-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.51
Rot. Bonds5

About 2,3-difluoropropoxymethylbenzene

2,3-difluoropropoxymethylbenzene (PubChem CID 86233522) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,3-difluoropropoxymethylbenzene.

Molecular Properties

Compound Name2,3-difluoropropoxymethylbenzene
PubChem CID86233522
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2,3-difluoropropoxymethylbenzene
SMILESFCC(F)COCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyBJNRJRSNEGANEL-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluorobutoxymethylbenzene
CID 121368179
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
CID 89164243
(2-fluoro-3-phenylmethoxypropyl) trifluoromethanesulfonate
CID 76649585
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
2-(3-fluoro-4-phenylmethoxybutyl)triazole
CID 134462837
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
CID 15965591
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoropropoxymethylbenzene?
The IUPAC name of 2,3-difluoropropoxymethylbenzene (CID 86233522) is 2,3-difluoropropoxymethylbenzene.
What is the SMILES notation for 2,3-difluoropropoxymethylbenzene?
The canonical SMILES for 2,3-difluoropropoxymethylbenzene is FCC(F)COCc1ccccc1.
What is the InChIKey of 2,3-difluoropropoxymethylbenzene?
The InChIKey is BJNRJRSNEGANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2,3-difluoropropoxymethylbenzene?
2,3-difluoropropoxymethylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropropoxymethylbenzene is sourced from PubChem (CID 86233522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).