[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate

C19H28F4O2 — CID 123266677

IUPAC[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OC2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H28F4O2/c1-2-3-13-4-6-15(7-5-13)18(24)25-16-10-8-14(9-11-16)17(20)12-19(21,22)23/h12-16H,2-11H2,1H3
InChIKeyGOUGGWWNXRSTMP-UHFFFAOYSA-N
MW364.42 g/mol
LogP6.11
Rot. Bonds5

About [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate

[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate (PubChem CID 123266677) has the molecular formula C19H28F4O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate
PubChem CID123266677
Molecular FormulaC19H28F4O2
Molecular Weight364.42 g/mol
Exact Mass364.20
IUPAC Name[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OC2CCC(C(F)=CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H28F4O2/c1-2-3-13-4-6-15(7-5-13)18(24)25-16-10-8-14(9-11-16)17(20)12-19(21,22)23/h12-16H,2-11H2,1H3
InChIKeyGOUGGWWNXRSTMP-UHFFFAOYSA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 123669151
[4-(2,2,2-trifluoroacetyl)oxycyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 20615037
(4-hexylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23334615
(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate
CID 140772115
(4-pentylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334769
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527
[4-(4-butylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CID 71130129
[4-(4-ethenylcyclohexyl)cyclohexyl] 4-(3-propylcyclopentyl)cyclohexane-1-carboxylate
CID 58555540
(4-butylcyclohexyl) 4-(4-cyano-4-fluorobut-3-enyl)cyclohexane-1-carboxylate
CID 54273208
[4-(4-cyano-4-fluorobut-3-enyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate
CID 54265131
cyclopropyl cyclopropanecarboxylate
CID 54407874
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate?
The IUPAC name of [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate (CID 123266677) is [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate is CCCC1CCC(C(=O)OC2CCC(C(F)=CC(F)(F)F)CC2)CC1.
What is the InChIKey of [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate?
The InChIKey is GOUGGWWNXRSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F4O2/c1-2-3-13-4-6-15(7-5-13)18(24)25-16-10-8-14(9-11-16)17(20)12-19(21,22)23/h12-16H,2-11H2,1H3.
What are the key properties of [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate?
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 123266677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).