1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene

C16H22F4O — CID 144809487

IUPAC1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene
SMILESCCC1=CC=C(OCC2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C16H22F4O/c1-3-13-8-9-14(16(19,20)15(13,17)18)21-10-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyDQXKNJASDACHOH-UHFFFAOYSA-N
MW306.34 g/mol
LogP5.33
Rot. Bonds4

About 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene

1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene (PubChem CID 144809487) has the molecular formula C16H22F4O and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene
PubChem CID144809487
Molecular FormulaC16H22F4O
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Name1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene
SMILESCCC1=CC=C(OCC2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C16H22F4O/c1-3-13-8-9-14(16(19,20)15(13,17)18)21-10-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyDQXKNJASDACHOH-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[Difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium
CID 20625677
1-Methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
CID 58665509
1-ethoxy-5,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexa-1,3-diene
CID 71018135
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]cyclohexane
CID 88900469
5-propyl-2-[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]oxane
CID 117946248
1-propyl-4-[[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]methoxy]cyclohexane
CID 117946295
(3S,5R)-3-butyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018547
1-Ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
CID 118882410
1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexane
CID 121258242
5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 121258261
5,5,6,6-Tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
CID 121476157
1-Ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 121476164

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene (CID 144809487) is 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene is CCC1=CC=C(OCC2CCC(C)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene?
The InChIKey is DQXKNJASDACHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4O/c1-3-13-8-9-14(16(19,20)15(13,17)18)21-10-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene?
1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene has a molecular weight of 306.34 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 144809487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).