(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene

C10H17F3O — CID 129138364

IUPAC(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene
SMILESCOC(C)(C)/C(C)=C\C(C)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-7(9(3,4)14-5)6-8(2)10(11,12)13/h6,8H,1-5H3/b7-6-
InChIKeyFUVCCXMRRFJBAF-SREVYHEPSA-N
MW210.24 g/mol
LogP3.56
Rot. Bonds3

About (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene

(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene (PubChem CID 129138364) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene
PubChem CID129138364
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene
SMILESCOC(C)(C)/C(C)=C\C(C)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-7(9(3,4)14-5)6-8(2)10(11,12)13/h6,8H,1-5H3/b7-6-
InChIKeyFUVCCXMRRFJBAF-SREVYHEPSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.56
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 (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene?
The IUPAC name of (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene (CID 129138364) is (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene is COC(C)(C)/C(C)=C\C(C)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene?
The InChIKey is FUVCCXMRRFJBAF-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(9(3,4)14-5)6-8(2)10(11,12)13/h6,8H,1-5H3/b7-6-.
What are the key properties of (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene?
(Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene has a molecular weight of 210.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-5-methoxy-2,4,5-trimethylhex-3-ene is sourced from PubChem (CID 129138364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).