1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene

C13H15F5O — CID 54277756

IUPAC1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
SMILESCCC(OC)C(F)(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F5O/c1-3-11(19-2)12(14,15)8-9-5-4-6-10(7-9)13(16,17)18/h4-7,11H,3,8H2,1-2H3
InChIKeyGGZIMWPVUWVLNV-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.31
Rot. Bonds5

About 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene

1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene (PubChem CID 54277756) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
PubChem CID54277756
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
SMILESCCC(OC)C(F)(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F5O/c1-3-11(19-2)12(14,15)8-9-5-4-6-10(7-9)13(16,17)18/h4-7,11H,3,8H2,1-2H3
InChIKeyGGZIMWPVUWVLNV-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
CID 54568761
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butanenitrile
CID 155351066
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene (CID 54277756) is 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene is CCC(OC)C(F)(F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene?
The InChIKey is GGZIMWPVUWVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-3-11(19-2)12(14,15)8-9-5-4-6-10(7-9)13(16,17)18/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene?
1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene has a molecular weight of 282.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 54277756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).