ethylcyclopropane;1,2,4-trifluorobenzene

C11H13F3 — CID 157032368

IUPACethylcyclopropane;1,2,4-trifluorobenzene
SMILESCCC1CC1.Fc1ccc(F)c(F)c1
InChIInChI=1S/C6H3F3.C5H10/c7-4-1-2-5(8)6(9)3-4;1-2-5-3-4-5/h1-3H;5H,2-4H2,1H3
InChIKeyWXKXUYGWTMHDHS-UHFFFAOYSA-N
MW202.22 g/mol
LogP3.91
Rot. Bonds1

About ethylcyclopropane;1,2,4-trifluorobenzene

ethylcyclopropane;1,2,4-trifluorobenzene (PubChem CID 157032368) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is ethylcyclopropane;1,2,4-trifluorobenzene.

Molecular Properties

Compound Nameethylcyclopropane;1,2,4-trifluorobenzene
PubChem CID157032368
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Nameethylcyclopropane;1,2,4-trifluorobenzene
SMILESCCC1CC1.Fc1ccc(F)c(F)c1
InChIInChI=1S/C6H3F3.C5H10/c7-4-1-2-5(8)6(9)3-4;1-2-5-3-4-5/h1-3H;5H,2-4H2,1H3
InChIKeyWXKXUYGWTMHDHS-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene
CID 146626064
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine
CID 54354891

Frequently Asked Questions

What is the IUPAC name of ethylcyclopropane;1,2,4-trifluorobenzene?
The IUPAC name of ethylcyclopropane;1,2,4-trifluorobenzene (CID 157032368) is ethylcyclopropane;1,2,4-trifluorobenzene.
What is the SMILES notation for ethylcyclopropane;1,2,4-trifluorobenzene?
The canonical SMILES for ethylcyclopropane;1,2,4-trifluorobenzene is CCC1CC1.Fc1ccc(F)c(F)c1.
What is the InChIKey of ethylcyclopropane;1,2,4-trifluorobenzene?
The InChIKey is WXKXUYGWTMHDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.C5H10/c7-4-1-2-5(8)6(9)3-4;1-2-5-3-4-5/h1-3H;5H,2-4H2,1H3.
What are the key properties of ethylcyclopropane;1,2,4-trifluorobenzene?
ethylcyclopropane;1,2,4-trifluorobenzene has a molecular weight of 202.22 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;1,2,4-trifluorobenzene is sourced from PubChem (CID 157032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).