(4R)-5,5,5-trifluoro-4-methylpent-1-ene

C6H9F3 — CID 89023731

IUPAC(4R)-5,5,5-trifluoro-4-methylpent-1-ene
SMILESC=CC[C@@H](C)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h3,5H,1,4H2,2H3/t5-/m1/s1
InChIKeyZZNVBHMFMUVGHK-RXMQYKEDSA-N
MW138.13 g/mol
LogP2.76
Rot. Bonds2

About (4R)-5,5,5-trifluoro-4-methylpent-1-ene

(4R)-5,5,5-trifluoro-4-methylpent-1-ene (PubChem CID 89023731) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-methylpent-1-ene.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-methylpent-1-ene
PubChem CID89023731
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name(4R)-5,5,5-trifluoro-4-methylpent-1-ene
SMILESC=CC[C@@H](C)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h3,5H,1,4H2,2H3/t5-/m1/s1
InChIKeyZZNVBHMFMUVGHK-RXMQYKEDSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4R)-5,5,5-trifluoro-4-methylpent-1-ene?
The IUPAC name of (4R)-5,5,5-trifluoro-4-methylpent-1-ene (CID 89023731) is (4R)-5,5,5-trifluoro-4-methylpent-1-ene.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-methylpent-1-ene?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-methylpent-1-ene is C=CC[C@@H](C)C(F)(F)F.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-methylpent-1-ene?
The InChIKey is ZZNVBHMFMUVGHK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h3,5H,1,4H2,2H3/t5-/m1/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-methylpent-1-ene?
(4R)-5,5,5-trifluoro-4-methylpent-1-ene has a molecular weight of 138.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-methylpent-1-ene is sourced from PubChem (CID 89023731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).