1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene

C11H7F7 — CID 154323522

IUPAC1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESC=C(CF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H7F7/c1-6(5-12)7-2-8(10(13,14)15)4-9(3-7)11(16,17)18/h2-4H,1,5H2
InChIKeyNNQCHGXUULVKGE-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.71
Rot. Bonds2

About 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene

1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 154323522) has the molecular formula C11H7F7 and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene
PubChem CID154323522
Molecular FormulaC11H7F7
Molecular Weight272.16 g/mol
Exact Mass272.04
IUPAC Name1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESC=C(CF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H7F7/c1-6(5-12)7-2-8(10(13,14)15)4-9(3-7)11(16,17)18/h2-4H,1,5H2
InChIKeyNNQCHGXUULVKGE-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]but-3-enamide
CID 99942324
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 87996526
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
1-[3,5-bis(trifluoromethyl)phenyl]ethenyl acetate
CID 131847273
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]azanium chloride
CID 2736101
1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 173058879
copper bis(3,5-bis(trifluoromethyl)benzoate)
CID 102509886
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylethanone
CID 141086013

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene (CID 154323522) is 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene is C=C(CF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is NNQCHGXUULVKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7/c1-6(5-12)7-2-8(10(13,14)15)4-9(3-7)11(16,17)18/h2-4H,1,5H2.
What are the key properties of 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene?
1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 272.16 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 154323522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).