(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene

C7H10BrF3 — CID 129359665

IUPAC(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
SMILESC=CC[C@H](CBr)CC(F)(F)F
InChIInChI=1S/C7H10BrF3/c1-2-3-6(5-8)4-7(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyHJAQMCSXPWDERP-LURJTMIESA-N
MW231.05 g/mol
LogP3.53
Rot. Bonds4

About (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene

(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene (PubChem CID 129359665) has the molecular formula C7H10BrF3 and a molecular weight of 231.05 g/mol. Its IUPAC name is (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene.

Molecular Properties

Compound Name(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
PubChem CID129359665
Molecular FormulaC7H10BrF3
Molecular Weight231.05 g/mol
Exact Mass229.99
IUPAC Name(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
SMILESC=CC[C@H](CBr)CC(F)(F)F
InChIInChI=1S/C7H10BrF3/c1-2-3-6(5-8)4-7(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyHJAQMCSXPWDERP-LURJTMIESA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene?
The IUPAC name of (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene (CID 129359665) is (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene.
What is the SMILES notation for (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene?
The canonical SMILES for (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene is C=CC[C@H](CBr)CC(F)(F)F.
What is the InChIKey of (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene?
The InChIKey is HJAQMCSXPWDERP-LURJTMIESA-N. The full InChI is InChI=1S/C7H10BrF3/c1-2-3-6(5-8)4-7(9,10)11/h2,6H,1,3-5H2/t6-/m0/s1.
What are the key properties of (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene?
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene has a molecular weight of 231.05 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene is sourced from PubChem (CID 129359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).