1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene

C14H19F3O — CID 174855651

IUPAC1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
SMILESCC(C)OC(C)(C)CCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H19F3O/c1-9(2)18-14(3,4)6-5-10-7-12(16)13(17)8-11(10)15/h7-9H,5-6H2,1-4H3
InChIKeyJORKAVRYQJZDRM-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.24
Rot. Bonds5

About 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene

1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene (PubChem CID 174855651) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
PubChem CID174855651
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
SMILESCC(C)OC(C)(C)CCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H19F3O/c1-9(2)18-14(3,4)6-5-10-7-12(16)13(17)8-11(10)15/h7-9H,5-6H2,1-4H3
InChIKeyJORKAVRYQJZDRM-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 90171949
CID 90171949
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
CID 175548510
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90172693
CID 90174869
CID 90174869
CID 90175204
CID 90175204
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
CID 79733000
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
4-(2,4,5-trifluorophenyl)butan-2-ylcarbamic acid
CID 90734315
2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
CID 103304871

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene?
The IUPAC name of 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene (CID 174855651) is 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene.
What is the SMILES notation for 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene?
The canonical SMILES for 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene is CC(C)OC(C)(C)CCc1cc(F)c(F)cc1F.
What is the InChIKey of 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene?
The InChIKey is JORKAVRYQJZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-9(2)18-14(3,4)6-5-10-7-12(16)13(17)8-11(10)15/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene?
1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene has a molecular weight of 260.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene is sourced from PubChem (CID 174855651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).