1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene

C17H21F3O — CID 19097932

IUPAC1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCOC/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3O/c1-21-12-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(18,19)20/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+
InChIKeyYVMFASSRPNAAEG-NSCUHMNNSA-N
MW298.35 g/mol
LogP5.18
Rot. Bonds4

About 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 19097932) has the molecular formula C17H21F3O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID19097932
Molecular FormulaC17H21F3O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCOC/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3O/c1-21-12-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(18,19)20/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+
InChIKeyYVMFASSRPNAAEG-NSCUHMNNSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.18
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-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene (CID 19097932) is 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene is COC/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is YVMFASSRPNAAEG-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H21F3O/c1-21-12-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(18,19)20/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+.
What are the key properties of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 298.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 19097932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).