1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene

C12H15F3 — CID 139904745

IUPAC1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
SMILESCCc1cc(F)c(CC(C)C)c(F)c1F
InChIInChI=1S/C12H15F3/c1-4-8-6-10(13)9(5-7(2)3)12(15)11(8)14/h6-7H,4-5H2,1-3H3
InChIKeyZFFJUJZCUJDYSB-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.86
Rot. Bonds3

About 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene

1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene (PubChem CID 139904745) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
PubChem CID139904745
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
SMILESCCc1cc(F)c(CC(C)C)c(F)c1F
InChIInChI=1S/C12H15F3/c1-4-8-6-10(13)9(5-7(2)3)12(15)11(8)14/h6-7H,4-5H2,1-3H3
InChIKeyZFFJUJZCUJDYSB-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.86
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

1,4-bis(2,2-dimethylpropyl)-2,3,5-trifluorobenzene
CID 164762951
5-ethyl-2-fluoro-4-(2-methylpropyl)benzonitrile
CID 171515760
2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
CID 134387814
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
CID 166923791
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174930100
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003
2,4-difluoro-1-(2-methylpropyl)benzene;ethane;5-ethyl-1,2,3-trifluorobenzene
CID 156727058
CID 163905895
CID 163905895
3-ethyl-4,5-difluorophenol
CID 147335111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene?
The IUPAC name of 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene (CID 139904745) is 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene is CCc1cc(F)c(CC(C)C)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene?
The InChIKey is ZFFJUJZCUJDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-4-8-6-10(13)9(5-7(2)3)12(15)11(8)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene?
1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene is sourced from PubChem (CID 139904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).