(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene

C9H8F6 — CID 143562192

IUPAC(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C(/C=C(/C)C(=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6/c1-5(7(3)9(13,14)15)4-6(2)8(10,11)12/h4H,2-3H2,1H3/b5-4-
InChIKeyRPPHVUSGLONXGI-PLNGDYQASA-N
MW230.15 g/mol
LogP4.17
Rot. Bonds2

About (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene

(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 143562192) has the molecular formula C9H8F6 and a molecular weight of 230.15 g/mol. Its IUPAC name is (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
PubChem CID143562192
Molecular FormulaC9H8F6
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C(/C=C(/C)C(=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6/c1-5(7(3)9(13,14)15)4-6(2)8(10,11)12/h4H,2-3H2,1H3/b5-4-
InChIKeyRPPHVUSGLONXGI-PLNGDYQASA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-3-(trifluoromethyl)buta-1,3-diene
CID 102247530
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
(4E)-4-methyl-2-(trifluoromethyl)hexa-1,4-dien-3-one
CID 102121795
2-(trifluoromethyl)prop-2-enal
CID 6328846
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
CID 174047890
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
(3E)-5-(trifluoromethyl)hexa-1,3,5-triene-3-sulfinyl chloride
CID 144657251

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene (CID 143562192) is (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene is C=C(/C=C(/C)C(=C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is RPPHVUSGLONXGI-PLNGDYQASA-N. The full InChI is InChI=1S/C9H8F6/c1-5(7(3)9(13,14)15)4-6(2)8(10,11)12/h4H,2-3H2,1H3/b5-4-.
What are the key properties of (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene?
(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene has a molecular weight of 230.15 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 143562192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).