2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene

C14H13F3O — CID 142950707

IUPAC2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1C1=CCCC=C1
InChIInChI=1S/C14H13F3O/c1-18-13-8-7-11(14(15,16)17)9-12(13)10-5-3-2-4-6-10/h3,5-9H,2,4H2,1H3
InChIKeyHSEATYAICGKADI-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.45
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene

2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene (PubChem CID 142950707) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene
PubChem CID142950707
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1C1=CCCC=C1
InChIInChI=1S/C14H13F3O/c1-18-13-8-7-11(14(15,16)17)9-12(13)10-5-3-2-4-6-10/h3,5-9H,2,4H2,1H3
InChIKeyHSEATYAICGKADI-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
CID 18770062
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
2-(2-bromocyclopenten-1-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 68934613
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2-ethynyl-1-methoxy-4-(trifluoromethyl)benzene
CID 138985776
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66652889
6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 53218223
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene (CID 142950707) is 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)cc1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene?
The InChIKey is HSEATYAICGKADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O/c1-18-13-8-7-11(14(15,16)17)9-12(13)10-5-3-2-4-6-10/h3,5-9H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene?
2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene has a molecular weight of 254.25 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 142950707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).