1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane

C17H26F4O — CID 58665509

IUPAC1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
SMILESCC1CCC(COC2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H26F4O/c1-12-2-4-14(5-3-12)11-22-15-8-6-13(7-9-15)10-16(18)17(19,20)21/h10,12-15H,2-9,11H2,1H3
InChIKeySLAFYAVCRYWIHF-UHFFFAOYSA-N
MW322.39 g/mol
LogP5.80
Rot. Bonds4

About 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane

1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane (PubChem CID 58665509) has the molecular formula C17H26F4O and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
PubChem CID58665509
Molecular FormulaC17H26F4O
Molecular Weight322.39 g/mol
Exact Mass322.19
IUPAC Name1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
SMILESCC1CCC(COC2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H26F4O/c1-12-2-4-14(5-3-12)11-22-15-8-6-13(7-9-15)10-16(18)17(19,20)21/h10,12-15H,2-9,11H2,1H3
InChIKeySLAFYAVCRYWIHF-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-ethoxy-4-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]cyclohexane
CID 19695478
1-(2,2-Difluoroethenyl)-4-(4-dodecoxycyclohexyl)cyclohexane
CID 19842702
1-(2,2-Difluoroethenyl)-4-(4-ethoxycyclohexyl)cyclohexane
CID 19842730
1-Decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842733
1-Butoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842747
1-(2,2-Difluoroethenyl)-4-(4-propoxycyclohexyl)cyclohexane
CID 19842752
1-(2,2-Difluoroethenyl)-4-(4-pentoxycyclohexyl)cyclohexane
CID 19842753
1-(2,2-Difluoroethenyl)-4-(4-hexoxycyclohexyl)cyclohexane
CID 19842772
1-(2,2-Difluoroethenyl)-4-(4-octoxycyclohexyl)cyclohexane
CID 19842845
1-(2,2-Difluoroethenyl)-4-(4-heptoxycyclohexyl)cyclohexane
CID 19842878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane (CID 58665509) is 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane is CC1CCC(COC2CCC(C=C(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The InChIKey is SLAFYAVCRYWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4O/c1-12-2-4-14(5-3-12)11-22-15-8-6-13(7-9-15)10-16(18)17(19,20)21/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane has a molecular weight of 322.39 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane is sourced from PubChem (CID 58665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).