2,3-difluoropropoxybenzene

C9H10F2O — CID 141126062

IUPAC2,3-difluoropropoxybenzene
SMILESFCC(F)COc1ccccc1
InChIInChI=1S/C9H10F2O/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyDJMMKNPCUFHREE-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.37
Rot. Bonds4

About 2,3-difluoropropoxybenzene

2,3-difluoropropoxybenzene (PubChem CID 141126062) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2,3-difluoropropoxybenzene.

Molecular Properties

Compound Name2,3-difluoropropoxybenzene
PubChem CID141126062
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2,3-difluoropropoxybenzene
SMILESFCC(F)COc1ccccc1
InChIInChI=1S/C9H10F2O/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyDJMMKNPCUFHREE-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-2-fluoroethoxy)benzene
CID 175098027
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
(2-bromo-3-fluoropropoxy)benzene
CID 101027846
2,3-difluorobutoxybenzene
CID 53412752
3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
CID 52916775
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
2,3-difluoropropoxymethylbenzene
CID 86233522
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
CID 71253851
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
CID 142401703
CID 142401703
2-hydroxy-3-phenoxypropanoic acid
CID 67592895

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoropropoxybenzene?
The IUPAC name of 2,3-difluoropropoxybenzene (CID 141126062) is 2,3-difluoropropoxybenzene.
What is the SMILES notation for 2,3-difluoropropoxybenzene?
The canonical SMILES for 2,3-difluoropropoxybenzene is FCC(F)COc1ccccc1.
What is the InChIKey of 2,3-difluoropropoxybenzene?
The InChIKey is DJMMKNPCUFHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 2,3-difluoropropoxybenzene?
2,3-difluoropropoxybenzene has a molecular weight of 172.17 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropropoxybenzene is sourced from PubChem (CID 141126062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).