[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene

C11H11F3 — CID 162576460

IUPAC[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
SMILESC=C(C)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3/c1-8(2)10(11(12,13)14)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t10-/m1/s1
InChIKeySIODSZFQGLDPQK-SNVBAGLBSA-N
MW200.20 g/mol
LogP3.91
Rot. Bonds2

About [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene

[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene (PubChem CID 162576460) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene.

Molecular Properties

Compound Name[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
PubChem CID162576460
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
SMILESC=C(C)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3/c1-8(2)10(11(12,13)14)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t10-/m1/s1
InChIKeySIODSZFQGLDPQK-SNVBAGLBSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-phenylpropanoyl bromide
CID 174737113
ethyl 3,3,3-trifluoro-2-phenylpropanoate
CID 10399031
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
3-fluorobut-3-en-2-ylbenzene
CID 54351405
1-(3-methylbut-3-en-2-ylsulfanyl)ethylbenzene
CID 164914958
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
4-methyl-1-phenylpent-4-ene-1,3-diol
CID 13461017
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 114467427

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene?
The IUPAC name of [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene (CID 162576460) is [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene.
What is the SMILES notation for [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene?
The canonical SMILES for [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene is C=C(C)[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene?
The InChIKey is SIODSZFQGLDPQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3/c1-8(2)10(11(12,13)14)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t10-/m1/s1.
What are the key properties of [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene?
[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene has a molecular weight of 200.20 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene is sourced from PubChem (CID 162576460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).