1-(2-iodopropyl)-3-(trifluoromethyl)benzene

C10H10F3I — CID 135032501

IUPAC1-(2-iodopropyl)-3-(trifluoromethyl)benzene
SMILESCC(I)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3I/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5H2,1H3
InChIKeyJUHLQFGYTLRWJD-UHFFFAOYSA-N
MW314.09 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-iodopropyl)-3-(trifluoromethyl)benzene

1-(2-iodopropyl)-3-(trifluoromethyl)benzene (PubChem CID 135032501) has the molecular formula C10H10F3I and a molecular weight of 314.09 g/mol. Its IUPAC name is 1-(2-iodopropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-iodopropyl)-3-(trifluoromethyl)benzene
PubChem CID135032501
Molecular FormulaC10H10F3I
Molecular Weight314.09 g/mol
Exact Mass313.98
IUPAC Name1-(2-iodopropyl)-3-(trifluoromethyl)benzene
SMILESCC(I)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3I/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5H2,1H3
InChIKeyJUHLQFGYTLRWJD-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodopropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-iodopropyl)-3-(trifluoromethyl)benzene (CID 135032501) is 1-(2-iodopropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-iodopropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-iodopropyl)-3-(trifluoromethyl)benzene is CC(I)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-iodopropyl)-3-(trifluoromethyl)benzene?
The InChIKey is JUHLQFGYTLRWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3I/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(2-iodopropyl)-3-(trifluoromethyl)benzene?
1-(2-iodopropyl)-3-(trifluoromethyl)benzene has a molecular weight of 314.09 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodopropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 135032501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).