1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene

C14H13F3 — CID 156513207

IUPAC1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene
SMILESC=C/C(C)=C\C(=C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3/c1-4-10(2)9-11(3)12-5-7-13(8-6-12)14(15,16)17/h4-9H,1,3H2,2H3/b10-9-
InChIKeyHCMMVTVFUWKTNH-KTKRTIGZSA-N
MW238.25 g/mol
LogP4.85
Rot. Bonds3

About 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene

1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene (PubChem CID 156513207) has the molecular formula C14H13F3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene
PubChem CID156513207
Molecular FormulaC14H13F3
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene
SMILESC=C/C(C)=C\C(=C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3/c1-4-10(2)9-11(3)12-5-7-13(8-6-12)14(15,16)17/h4-9H,1,3H2,2H3/b10-9-
InChIKeyHCMMVTVFUWKTNH-KTKRTIGZSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene (CID 156513207) is 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene is C=C/C(C)=C\C(=C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene?
The InChIKey is HCMMVTVFUWKTNH-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H13F3/c1-4-10(2)9-11(3)12-5-7-13(8-6-12)14(15,16)17/h4-9H,1,3H2,2H3/b10-9-.
What are the key properties of 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene?
1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene has a molecular weight of 238.25 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 156513207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).