1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene

C16H19F3O — CID 15177804

IUPAC1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene
SMILESC=CCOC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3O/c1-2-11-20-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17,18)19/h2-4,7-8,13,15H,1,5-6,9-11H2
InChIKeyDMFYBXINLUZCAJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.93
Rot. Bonds4

About 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene

1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene (PubChem CID 15177804) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene
PubChem CID15177804
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene
SMILESC=CCOC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3O/c1-2-11-20-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17,18)19/h2-4,7-8,13,15H,1,5-6,9-11H2
InChIKeyDMFYBXINLUZCAJ-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene (CID 15177804) is 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene is C=CCOC1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene?
The InChIKey is DMFYBXINLUZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O/c1-2-11-20-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17,18)19/h2-4,7-8,13,15H,1,5-6,9-11H2.
What are the key properties of 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene?
1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene has a molecular weight of 284.32 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxycyclohexyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15177804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).