2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene

C10H13F3O — CID 90696568

IUPAC2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCCOC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3O/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3,5-6,8H,2,4,7H2,1H3
InChIKeyFQNXLDAEQDPTHD-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.44
Rot. Bonds3

About 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene

2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 90696568) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID90696568
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCCOC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3O/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3,5-6,8H,2,4,7H2,1H3
InChIKeyFQNXLDAEQDPTHD-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

i-Propyl-Oxin
CID 58503066
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
CID 20427195
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Ethoxy-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 68261097
2-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 68261098

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 90696568) is 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene is CCCOC1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is FQNXLDAEQDPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3,5-6,8H,2,4,7H2,1H3.
What are the key properties of 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene?
2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 206.21 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 90696568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).