2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene

C13H12F4 — CID 135178558

IUPAC2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESC=C(C)C1(c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C13H12F4/c1-8(2)12(5-6-12)10-4-3-9(7-11(10)14)13(15,16)17/h3-4,7H,1,5-6H2,2H3
InChIKeyCLWZXOPGVAVNPU-UHFFFAOYSA-N
MW244.23 g/mol
LogP4.45
Rot. Bonds2

About 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene

2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 135178558) has the molecular formula C13H12F4 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID135178558
Molecular FormulaC13H12F4
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESC=C(C)C1(c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C13H12F4/c1-8(2)12(5-6-12)10-4-3-9(7-11(10)14)13(15,16)17/h3-4,7H,1,5-6H2,2H3
InChIKeyCLWZXOPGVAVNPU-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 54.45
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

Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
1,4-Di-tert-butylbenzene
CID 13895
4-tert-Butylstyrene
CID 15627
4-Trifluoromethylbiphenyl
CID 9877863
p-tert-Butylethylbenzene
CID 81828
1,4-Bis(trifluoromethyl)benzene
CID 67945
1,4-Bis(heptafluoroisopropyl)benzene
CID 142815
4-Methylbenzotrifluoride
CID 80230
1-Fluoro-4-(2,2,2-trifluoroethyl)benzene
CID 285369
(2,2-Difluoropropyl)benzene
CID 285390
3-Methyl-3-phenylbutene
CID 316708

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene (CID 135178558) is 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene is C=C(C)C1(c2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is CLWZXOPGVAVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4/c1-8(2)12(5-6-12)10-4-3-9(7-11(10)14)13(15,16)17/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene?
2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 244.23 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 135178558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).