3-(trifluoromethyl)buta-1,3-dienylcyclopropane

C8H9F3 — CID 123524429

IUPAC3-(trifluoromethyl)buta-1,3-dienylcyclopropane
SMILESC=C(C=CC1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3/c1-6(8(9,10)11)2-3-7-4-5-7/h2-3,7H,1,4-5H2
InChIKeyZQVQMDGJXGWRCC-UHFFFAOYSA-N
MW162.15 g/mol
LogP3.07
Rot. Bonds2

About 3-(trifluoromethyl)buta-1,3-dienylcyclopropane

3-(trifluoromethyl)buta-1,3-dienylcyclopropane (PubChem CID 123524429) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)buta-1,3-dienylcyclopropane.

Molecular Properties

Compound Name3-(trifluoromethyl)buta-1,3-dienylcyclopropane
PubChem CID123524429
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name3-(trifluoromethyl)buta-1,3-dienylcyclopropane
SMILESC=C(C=CC1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3/c1-6(8(9,10)11)2-3-7-4-5-7/h2-3,7H,1,4-5H2
InChIKeyZQVQMDGJXGWRCC-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane
CID 11263757
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
2-(trifluoromethyl)prop-2-enal
CID 6328846
(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
CID 143179435
1-ethenyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 54410794
[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite
CID 178021325
1,1-difluoro-3-(trifluoromethyl)buta-1,3-diene
CID 102247530
amino 3-cyclopropylprop-2-enoate
CID 174359993
(E)-3-cyclopropyl-N-(cyclopropylmethyl)prop-2-enamide
CID 134349428
3,3,3-trifluoroprop-1-en-2-ylcyclobutane
CID 143993602
(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 127130490
(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933957

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)buta-1,3-dienylcyclopropane?
The IUPAC name of 3-(trifluoromethyl)buta-1,3-dienylcyclopropane (CID 123524429) is 3-(trifluoromethyl)buta-1,3-dienylcyclopropane.
What is the SMILES notation for 3-(trifluoromethyl)buta-1,3-dienylcyclopropane?
The canonical SMILES for 3-(trifluoromethyl)buta-1,3-dienylcyclopropane is C=C(C=CC1CC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)buta-1,3-dienylcyclopropane?
The InChIKey is ZQVQMDGJXGWRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c1-6(8(9,10)11)2-3-7-4-5-7/h2-3,7H,1,4-5H2.
What are the key properties of 3-(trifluoromethyl)buta-1,3-dienylcyclopropane?
3-(trifluoromethyl)buta-1,3-dienylcyclopropane has a molecular weight of 162.15 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)buta-1,3-dienylcyclopropane is sourced from PubChem (CID 123524429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).