(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene

C7H11F3O — CID 167058008

IUPAC(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene
SMILESC/C=C\C(C)(OC)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H,1-3H3/b5-4-
InChIKeyRXTQOXPFVBEQDC-PLNGDYQASA-N
MW168.16 g/mol
LogP2.53
Rot. Bonds2

About (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene

(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene (PubChem CID 167058008) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene
PubChem CID167058008
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene
SMILESC/C=C\C(C)(OC)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H,1-3H3/b5-4-
InChIKeyRXTQOXPFVBEQDC-PLNGDYQASA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.53
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)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene?
The IUPAC name of (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene (CID 167058008) is (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene is C/C=C\C(C)(OC)C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene?
The InChIKey is RXTQOXPFVBEQDC-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H,1-3H3/b5-4-.
What are the key properties of (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene?
(Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene has a molecular weight of 168.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-methoxy-4-methylpent-2-ene is sourced from PubChem (CID 167058008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).