1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene

C14H13F3O — CID 143148421

IUPAC1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene
SMILESCc1ccc(C2=C(OC(F)(F)F)C=CCC2)cc1
InChIInChI=1S/C14H13F3O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)18-14(15,16)17/h3,5-9H,2,4H2,1H3
InChIKeyVRORBKBMXPFDCE-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.59
Rot. Bonds2

About 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene

1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene (PubChem CID 143148421) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene
PubChem CID143148421
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene
SMILESCc1ccc(C2=C(OC(F)(F)F)C=CCC2)cc1
InChIInChI=1S/C14H13F3O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)18-14(15,16)17/h3,5-9H,2,4H2,1H3
InChIKeyVRORBKBMXPFDCE-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-2-one
CID 137641471
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
CID 11021122
[(E)-3-(trifluoromethoxy)prop-1-enyl]benzene
CID 21696255
((E)-2-Ethoxy-1-trifluoromethyl-vinyl)-benzene
CID 10751192
1-[(E)-2-butoxyethenyl]-4-(trifluoromethyl)benzene
CID 11042970
[1-(Trifluoromethyl)vinyl](3-phenylallyl) ether
CID 102282204
2,4-Dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 122232926
3-Methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 122232930
2-Methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 122232931
t-Butoxy(trifluoro-methyl)styrene
CID 129873119

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene?
The IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene (CID 143148421) is 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene is Cc1ccc(C2=C(OC(F)(F)F)C=CCC2)cc1.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene?
The InChIKey is VRORBKBMXPFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)18-14(15,16)17/h3,5-9H,2,4H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene?
1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene has a molecular weight of 254.25 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]benzene is sourced from PubChem (CID 143148421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).