6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene

C9H12F6O2 — CID 58219567

IUPAC6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
SMILESC=CCCC(COC(F)(F)F)COC(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-2-3-4-7(5-16-8(10,11)12)6-17-9(13,14)15/h2,7H,1,3-6H2
InChIKeyUCSOCMIUGMOXJB-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.64
Rot. Bonds7

About 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene

6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene (PubChem CID 58219567) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene.

Molecular Properties

Compound Name6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
PubChem CID58219567
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
SMILESC=CCCC(COC(F)(F)F)COC(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-2-3-4-7(5-16-8(10,11)12)6-17-9(13,14)15/h2,7H,1,3-6H2
InChIKeyUCSOCMIUGMOXJB-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-prop-2-enylnona-1,8-diene
CID 54537373
trimethyl(2-prop-2-enylhex-5-enoxy)silane
CID 140648151
2-but-3-enylhex-5-en-1-amine
CID 130382667
6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
CID 176971023
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
CID 171229978
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
5-but-3-enoxy-5-fluoronona-1,8-diene
CID 122631410
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide
CID 158194058
(4S)-octa-1,7-dien-4-amine
CID 124537914
5,5-dibromopent-1-ene
CID 134890321

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene?
The IUPAC name of 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene (CID 58219567) is 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene.
What is the SMILES notation for 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene?
The canonical SMILES for 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene is C=CCCC(COC(F)(F)F)COC(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene?
The InChIKey is UCSOCMIUGMOXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-2-3-4-7(5-16-8(10,11)12)6-17-9(13,14)15/h2,7H,1,3-6H2.
What are the key properties of 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene?
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene has a molecular weight of 266.18 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene is sourced from PubChem (CID 58219567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).