5-(trifluoromethoxy)cyclohexa-1,3-diene

C7H7F3O — CID 18457037

IUPAC5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1C=CC=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6H,5H2
InChIKeyCBSREMZXVKBXAR-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.41
Rot. Bonds1

About 5-(trifluoromethoxy)cyclohexa-1,3-diene

5-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 18457037) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID18457037
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1C=CC=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6H,5H2
InChIKeyCBSREMZXVKBXAR-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
(1R,6S)-3-(trifluoromethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 177854072
5-Methoxycyclohexa-1,3-diene
CID 12611538
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
2-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18614397
2,6-bis(trifluoromethyl)-2H-pyran
CID 22022752
1-Fluoro-5-methoxycyclohexa-1,3-diene
CID 22482457
6,6-Difluoro-2,3-dihydropyran
CID 22709101
2-(2,2,2-Trifluoroethyl)-2,5-dihydrofuran
CID 23542326

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 5-(trifluoromethoxy)cyclohexa-1,3-diene (CID 18457037) is 5-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 5-(trifluoromethoxy)cyclohexa-1,3-diene is FC(F)(F)OC1C=CC=CC1.
What is the InChIKey of 5-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is CBSREMZXVKBXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6H,5H2.
What are the key properties of 5-(trifluoromethoxy)cyclohexa-1,3-diene?
5-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 164.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 18457037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).