1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene

C19H25F3O — CID 66809625

IUPAC1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(CO/C=C\C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3O/c1-2-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-23-13-12-19(20,21)22/h6-7,10-13,15,17H,2-5,8-9,14H2,1H3/b13-12-
InChIKeyOLJBUBIOBXGYOU-SEYXRHQNSA-N
MW326.40 g/mol
LogP6.35
Rot. Bonds6

About 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene

1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene (PubChem CID 66809625) has the molecular formula C19H25F3O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene
PubChem CID66809625
Molecular FormulaC19H25F3O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(CO/C=C\C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3O/c1-2-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-23-13-12-19(20,21)22/h6-7,10-13,15,17H,2-5,8-9,14H2,1H3/b13-12-
InChIKeyOLJBUBIOBXGYOU-SEYXRHQNSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1,3-difluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enoxy]benzene
CID 90293858
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene?
The IUPAC name of 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene (CID 66809625) is 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene is CCCC1CCC(c2ccc(CO/C=C\C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene?
The InChIKey is OLJBUBIOBXGYOU-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H25F3O/c1-2-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-23-13-12-19(20,21)22/h6-7,10-13,15,17H,2-5,8-9,14H2,1H3/b13-12-.
What are the key properties of 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene?
1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene has a molecular weight of 326.40 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene is sourced from PubChem (CID 66809625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).