1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene

C10H8F6O — CID 152766839

IUPAC1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene
SMILESCc1cccc(OC(F)(F)C(F)C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-6-3-2-4-7(5-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3
InChIKeyUOJIFNFIUAILOJ-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.87
Rot. Bonds3

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene (PubChem CID 152766839) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene
PubChem CID152766839
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene
SMILESCc1cccc(OC(F)(F)C(F)C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-6-3-2-4-7(5-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3
InChIKeyUOJIFNFIUAILOJ-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(1,1-difluoropropoxy)-3-methylbenzene
CID 67588241
3-(3-methylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 141062726
1-methyl-3-(trichloromethoxy)benzene
CID 21412926
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
CID 161048134
1-(2-methoxypropan-2-yloxy)-3-methylbenzene
CID 141192093
1-bromo-3,5-bis(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 173038440
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
1,3-dichloro-5-[3,3-difluoro-3-(3-methylphenoxy)prop-1-en-2-yl]benzene
CID 175270967

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene (CID 152766839) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene is Cc1cccc(OC(F)(F)C(F)C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene?
The InChIKey is UOJIFNFIUAILOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-6-3-2-4-7(5-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene?
1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene has a molecular weight of 258.16 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene is sourced from PubChem (CID 152766839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).