2,3-difluorobutoxybenzene

C10H12F2O — CID 53412752

IUPAC2,3-difluorobutoxybenzene
SMILESCC(F)C(F)COc1ccccc1
InChIInChI=1S/C10H12F2O/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyYDSPTZMKICAGMW-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.76
Rot. Bonds4

About 2,3-difluorobutoxybenzene

2,3-difluorobutoxybenzene (PubChem CID 53412752) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,3-difluorobutoxybenzene.

Molecular Properties

Compound Name2,3-difluorobutoxybenzene
PubChem CID53412752
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2,3-difluorobutoxybenzene
SMILESCC(F)C(F)COc1ccccc1
InChIInChI=1S/C10H12F2O/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyYDSPTZMKICAGMW-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluorobutoxy)phenol
CID 67187369
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
2,3-difluoropropoxybenzene
CID 141126062
CID 142401703
CID 142401703
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
ethane;1-phenoxypropan-2-ol
CID 90926921
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
amino(1-phenoxypropan-2-yl)azanium
CID 20838095
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorobutoxybenzene?
The IUPAC name of 2,3-difluorobutoxybenzene (CID 53412752) is 2,3-difluorobutoxybenzene.
What is the SMILES notation for 2,3-difluorobutoxybenzene?
The canonical SMILES for 2,3-difluorobutoxybenzene is CC(F)C(F)COc1ccccc1.
What is the InChIKey of 2,3-difluorobutoxybenzene?
The InChIKey is YDSPTZMKICAGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 2,3-difluorobutoxybenzene?
2,3-difluorobutoxybenzene has a molecular weight of 186.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorobutoxybenzene is sourced from PubChem (CID 53412752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).