1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene

C17H19F3O — CID 129214429

IUPAC1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
SMILESC=C[C@@H]1CC[C@H](/C=C\C)[C@H]1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3O/c1-3-5-13-7-6-12(4-2)16(13)21-15-10-8-14(9-11-15)17(18,19)20/h3-5,8-13,16H,2,6-7H2,1H3/b5-3-/t12-,13+,16+/m1/s1
InChIKeyUIJHHHJPZJLJKM-CIPOBDSESA-N
MW296.33 g/mol
LogP5.24
Rot. Bonds4

About 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene

1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene (PubChem CID 129214429) has the molecular formula C17H19F3O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
PubChem CID129214429
Molecular FormulaC17H19F3O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
SMILESC=C[C@@H]1CC[C@H](/C=C\C)[C@H]1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3O/c1-3-5-13-7-6-12(4-2)16(13)21-15-10-8-14(9-11-15)17(18,19)20/h3-5,8-13,16H,2,6-7H2,1H3/b5-3-/t12-,13+,16+/m1/s1
InChIKeyUIJHHHJPZJLJKM-CIPOBDSESA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.33
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)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-[(1S,2R,5S)-2-[(Z)-but-1-enyl]-5-ethenylcyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 121277043
1-[(1S,2R,5S)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 101131288
2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine
CID 70352241
[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
CID 15418783
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene
CID 12774541
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
CID 173445400
2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66368266
[4-(trifluoromethyl)phenyl] 4-[(E)-but-2-enoyl]oxycyclohexane-1-carboxylate
CID 18658334
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene (CID 129214429) is 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene is C=C[C@@H]1CC[C@H](/C=C\C)[C@H]1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene?
The InChIKey is UIJHHHJPZJLJKM-CIPOBDSESA-N. The full InChI is InChI=1S/C17H19F3O/c1-3-5-13-7-6-12(4-2)16(13)21-15-10-8-14(9-11-15)17(18,19)20/h3-5,8-13,16H,2,6-7H2,1H3/b5-3-/t12-,13+,16+/m1/s1.
What are the key properties of 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene?
1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene has a molecular weight of 296.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 129214429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).