(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene

C9H10ClF3 — CID 88583444

IUPAC(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(Cl)=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-4-8(10)7(5-6(2)3)9(11,12)13/h4-5H,1H2,2-3H3/b8-7-
InChIKeyKOCLXJBNHKASKJ-FPLPWBNLSA-N
MW210.63 g/mol
LogP4.19
Rot. Bonds2

About (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene

(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 88583444) has the molecular formula C9H10ClF3 and a molecular weight of 210.63 g/mol. Its IUPAC name is (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID88583444
Molecular FormulaC9H10ClF3
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(Cl)=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-4-8(10)7(5-6(2)3)9(11,12)13/h4-5H,1H2,2-3H3/b8-7-
InChIKeyKOCLXJBNHKASKJ-FPLPWBNLSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 54.19
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 (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene (CID 88583444) is (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(Cl)=C(\C=C(C)C)C(F)(F)F.
What is the InChIKey of (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is KOCLXJBNHKASKJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H10ClF3/c1-4-8(10)7(5-6(2)3)9(11,12)13/h4-5H,1H2,2-3H3/b8-7-.
What are the key properties of (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
(3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 210.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 88583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).