1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane

C16H24F4O — CID 123190588

IUPAC1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane
SMILESCOC1CCC(C2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F4O/c1-21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18,19)20/h10-14H,2-9H2,1H3
InChIKeyDBJAJWHRQNXUFP-UHFFFAOYSA-N
MW308.36 g/mol
LogP5.41
Rot. Bonds3

About 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane

1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane (PubChem CID 123190588) has the molecular formula C16H24F4O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane
PubChem CID123190588
Molecular FormulaC16H24F4O
Molecular Weight308.36 g/mol
Exact Mass308.18
IUPAC Name1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane
SMILESCOC1CCC(C2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F4O/c1-21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18,19)20/h10-14H,2-9H2,1H3
InChIKeyDBJAJWHRQNXUFP-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-[(E)-4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657537
1-(difluoromethoxy)-4-[(E)-4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657538
1-(difluoromethoxy)-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657539
1-ethyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657552
1-pentyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657553
1-propyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657554
1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane (CID 123190588) is 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane is COC1CCC(C2CCC(C(F)=CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane?
The InChIKey is DBJAJWHRQNXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O/c1-21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18,19)20/h10-14H,2-9H2,1H3.
What are the key properties of 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane?
1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane has a molecular weight of 308.36 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 123190588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).