1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene

C16H21F5O2 — CID 153282442

IUPAC1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
SMILESCCC(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F
InChIInChI=1S/C16H21F5O2/c1-5-10(17)8-22-11-6-7-12(14(19)13(11)18)23-9-16(20,21)15(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyCCRLSGCYFLNMQR-UHFFFAOYSA-N
MW340.33 g/mol
LogP5.15
Rot. Bonds7

About 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene

1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene (PubChem CID 153282442) has the molecular formula C16H21F5O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene.

Molecular Properties

Compound Name1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
PubChem CID153282442
Molecular FormulaC16H21F5O2
Molecular Weight340.33 g/mol
Exact Mass340.15
IUPAC Name1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
SMILESCCC(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F
InChIInChI=1S/C16H21F5O2/c1-5-10(17)8-22-11-6-7-12(14(19)13(11)18)23-9-16(20,21)15(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyCCRLSGCYFLNMQR-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 153282501
1-(2,2-difluoro-3-methylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282655
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
CID 153282355
2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
CID 153282415
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
CID 153282509
1-bromo-4-(2,2-difluoroethoxy)-2,3-difluorobenzene
CID 138986532
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
CID 153282577
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene?
The IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene (CID 153282442) is 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene.
What is the SMILES notation for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene?
The canonical SMILES for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene is CCC(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F.
What is the InChIKey of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene?
The InChIKey is CCRLSGCYFLNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F5O2/c1-5-10(17)8-22-11-6-7-12(14(19)13(11)18)23-9-16(20,21)15(2,3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene?
1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene has a molecular weight of 340.33 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene is sourced from PubChem (CID 153282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).