1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene

C15H20F4O — CID 143474858

IUPAC1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
SMILESCCCCC(CCC)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C15H20F4O/c1-3-5-7-11(6-4-2)12-8-9-13(16)14(10-12)20-15(17,18)19/h8-11H,3-7H2,1-2H3
InChIKeyMIFHCCDOONRVCO-UHFFFAOYSA-N
MW292.32 g/mol
LogP5.80
Rot. Bonds7

About 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene

1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene (PubChem CID 143474858) has the molecular formula C15H20F4O and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
PubChem CID143474858
Molecular FormulaC15H20F4O
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Name1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
SMILESCCCCC(CCC)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C15H20F4O/c1-3-5-7-11(6-4-2)12-8-9-13(16)14(10-12)20-15(17,18)19/h8-11H,3-7H2,1-2H3
InChIKeyMIFHCCDOONRVCO-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.32
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-octan-4-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 143474899
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
CID 143471834
2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
CID 155406083
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 171227894
1-fluoro-4-octan-4-ylbenzene
CID 70993007
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
(3S)-3-(4-fluoro-3-methoxyphenyl)hexanoic acid
CID 67429586
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene (CID 143474858) is 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene is CCCCC(CCC)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene?
The InChIKey is MIFHCCDOONRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O/c1-3-5-7-11(6-4-2)12-8-9-13(16)14(10-12)20-15(17,18)19/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene?
1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene has a molecular weight of 292.32 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 143474858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).