1-hexoxy-6-(trifluoromethyl)cyclohexene

C13H21F3O — CID 123526153

IUPAC1-hexoxy-6-(trifluoromethyl)cyclohexene
SMILESCCCCCCOC1=CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-2-3-4-7-10-17-12-9-6-5-8-11(12)13(14,15)16/h9,11H,2-8,10H2,1H3
InChIKeyRTURZYXJLRKFQF-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.83
Rot. Bonds6

About 1-hexoxy-6-(trifluoromethyl)cyclohexene

1-hexoxy-6-(trifluoromethyl)cyclohexene (PubChem CID 123526153) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-hexoxy-6-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-hexoxy-6-(trifluoromethyl)cyclohexene
PubChem CID123526153
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name1-hexoxy-6-(trifluoromethyl)cyclohexene
SMILESCCCCCCOC1=CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-2-3-4-7-10-17-12-9-6-5-8-11(12)13(14,15)16/h9,11H,2-8,10H2,1H3
InChIKeyRTURZYXJLRKFQF-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
CID 15651911
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
1,3-Difluoro-5-(5-methylcyclohexen-1-yl)oxycyclohexene
CID 69627240
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
CID 71243209
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-6-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-hexoxy-6-(trifluoromethyl)cyclohexene (CID 123526153) is 1-hexoxy-6-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-hexoxy-6-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-hexoxy-6-(trifluoromethyl)cyclohexene is CCCCCCOC1=CCCCC1C(F)(F)F.
What is the InChIKey of 1-hexoxy-6-(trifluoromethyl)cyclohexene?
The InChIKey is RTURZYXJLRKFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O/c1-2-3-4-7-10-17-12-9-6-5-8-11(12)13(14,15)16/h9,11H,2-8,10H2,1H3.
What are the key properties of 1-hexoxy-6-(trifluoromethyl)cyclohexene?
1-hexoxy-6-(trifluoromethyl)cyclohexene has a molecular weight of 250.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-6-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 123526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).