8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene

C14H19F3O — CID 91033486

IUPAC8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
SMILESCC(C)C1=CC=C(OCC(F)(F)F)C=CCC1C
InChIInChI=1S/C14H19F3O/c1-10(2)13-8-7-12(6-4-5-11(13)3)18-9-14(15,16)17/h4,6-8,10-11H,5,9H2,1-3H3
InChIKeyZWJFFCSLLVTNMF-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.63
Rot. Bonds3

About 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene

8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene (PubChem CID 91033486) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
PubChem CID91033486
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
SMILESCC(C)C1=CC=C(OCC(F)(F)F)C=CCC1C
InChIInChI=1S/C14H19F3O/c1-10(2)13-8-7-12(6-4-5-11(13)3)18-9-14(15,16)17/h4,6-8,10-11H,5,9H2,1-3H3
InChIKeyZWJFFCSLLVTNMF-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
CID 89247482
6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 89259496
1-(2,2-Difluoropropoxy)-4-ethyl-5-methylhepta-1,3-diene
CID 90932075
6-Fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
CID 90958830
[2-Methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
CID 91103722
4-(2,2-Difluoroethoxy)-1-hexan-2-ylcyclohepta-1,3,5-triene
CID 91198045
3-(2,2-Difluorobutoxy)-7-methyl-6-methylideneocta-2,4-diene
CID 91231528

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene?
The IUPAC name of 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene (CID 91033486) is 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene.
What is the SMILES notation for 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene?
The canonical SMILES for 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene is CC(C)C1=CC=C(OCC(F)(F)F)C=CCC1C.
What is the InChIKey of 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene?
The InChIKey is ZWJFFCSLLVTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-10(2)13-8-7-12(6-4-5-11(13)3)18-9-14(15,16)17/h4,6-8,10-11H,5,9H2,1-3H3.
What are the key properties of 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene?
8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene has a molecular weight of 260.30 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene is sourced from PubChem (CID 91033486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).