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

1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607944
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
3-[2-fluoro-4-(trifluoromethyl)phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963724
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
N-[3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl-methylamino]-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 75229217
ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine
CID 168887293
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
N-[(2S)-3-(2,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 89044978
[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
CID 171823177
2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol
CID 171366647

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).