(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene

C9H11F3O — CID 178140699

IUPAC(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C(C)/C(=C\C(=C)C(F)(F)F)OC
InChIInChI=1S/C9H11F3O/c1-6(2)8(13-4)5-7(3)9(10,11)12/h5H,1,3H2,2,4H3/b8-5+
InChIKeyLXOZAWZWQMBDGO-VMPITWQZSA-N
MW192.18 g/mol
LogP3.21
Rot. Bonds3

About (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene

(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 178140699) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
PubChem CID178140699
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C(C)/C(=C\C(=C)C(F)(F)F)OC
InChIInChI=1S/C9H11F3O/c1-6(2)8(13-4)5-7(3)9(10,11)12/h5H,1,3H2,2,4H3/b8-5+
InChIKeyLXOZAWZWQMBDGO-VMPITWQZSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-chloro-3-methoxy-2-methylhexa-1,3,5-triene;ethane
CID 144678723
(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
CID 143562192
1,1-difluoro-3-(trifluoromethyl)buta-1,3-diene
CID 102247530
formaldehyde;(3E)-4-methoxy-5-methyl-2-methylidenehexa-3,5-dienenitrile
CID 145007766
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
CID 1268111
2,2,2-trichloroethyl N-[(3E)-2-methoxy-5-(trifluoromethyl)hexa-1,3,5-trien-3-yl]carbamate
CID 135215368
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(3E)-2-fluoro-3-methoxy-6-methylhepta-1,3,5-triene
CID 143367973
(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal
CID 142184664
fluoromethane;2-methoxyprop-1-ene
CID 143721713
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene (CID 178140699) is (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene is C=C(C)/C(=C\C(=C)C(F)(F)F)OC.
What is the InChIKey of (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is LXOZAWZWQMBDGO-VMPITWQZSA-N. The full InChI is InChI=1S/C9H11F3O/c1-6(2)8(13-4)5-7(3)9(10,11)12/h5H,1,3H2,2,4H3/b8-5+.
What are the key properties of (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene?
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 178140699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).