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

C19H30F4O — CID 123211120

IUPAC1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
SMILESCCCC1CCC(COC2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H30F4O/c1-2-3-14-4-6-15(7-5-14)13-24-17-10-8-16(9-11-17)18(20)12-19(21,22)23/h12,14-17H,2-11,13H2,1H3
InChIKeyACMXDFQIKDPNDE-UHFFFAOYSA-N
MW350.44 g/mol
LogP6.58
Rot. Bonds6

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

1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane (PubChem CID 123211120) has the molecular formula C19H30F4O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
PubChem CID123211120
Molecular FormulaC19H30F4O
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
SMILESCCCC1CCC(COC2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H30F4O/c1-2-3-14-4-6-15(7-5-14)13-24-17-10-8-16(9-11-17)18(20)12-19(21,22)23/h12,14-17H,2-11,13H2,1H3
InChIKeyACMXDFQIKDPNDE-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane with MolForge

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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-(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
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The IUPAC name of 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane (CID 123211120) is 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane is CCCC1CCC(COC2CCC(C(F)=CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
The InChIKey is ACMXDFQIKDPNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F4O/c1-2-3-14-4-6-15(7-5-14)13-24-17-10-8-16(9-11-17)18(20)12-19(21,22)23/h12,14-17H,2-11,13H2,1H3.
What are the key properties of 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane?
1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane has a molecular weight of 350.44 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane is sourced from PubChem (CID 123211120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).