[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene

C14H13F3O — CID 147017621

IUPAC[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene
SMILESFC(F)(F)C1=CC=C(OCc2ccccc2)CC1
InChIInChI=1S/C14H13F3O/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyAVBRLEAYSWFEEK-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.37
Rot. Bonds3

About [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene

[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene (PubChem CID 147017621) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene
PubChem CID147017621
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene
SMILESFC(F)(F)C1=CC=C(OCc2ccccc2)CC1
InChIInChI=1S/C14H13F3O/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyAVBRLEAYSWFEEK-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol
CID 173155015
1-[(4-bromophenyl)methoxy]-5-fluoro-4-phenyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 174556579
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
CID 125116513
5-phenylmethoxy-4H-pyridin-3-one
CID 151393318
2-phenylmethoxy-4,5-dihydro-1,3-thiazole
CID 174841495
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
3-phenylmethoxy-2H-thiophen-5-one
CID 86101899
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene?
The IUPAC name of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene (CID 147017621) is [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene?
The canonical SMILES for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene is FC(F)(F)C1=CC=C(OCc2ccccc2)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene?
The InChIKey is AVBRLEAYSWFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2.
What are the key properties of [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene?
[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene has a molecular weight of 254.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethylbenzene is sourced from PubChem (CID 147017621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).