1-(3-iodopropoxy)-4-(trifluoromethyl)benzene

C10H10F3IO — CID 148798788

IUPAC1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(OCCCI)cc1
InChIInChI=1S/C10H10F3IO/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14/h2-5H,1,6-7H2
InChIKeyONPQARBDSQOVER-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene

1-(3-iodopropoxy)-4-(trifluoromethyl)benzene (PubChem CID 148798788) has the molecular formula C10H10F3IO and a molecular weight of 330.09 g/mol. Its IUPAC name is 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
PubChem CID148798788
Molecular FormulaC10H10F3IO
Molecular Weight330.09 g/mol
Exact Mass329.97
IUPAC Name1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(OCCCI)cc1
InChIInChI=1S/C10H10F3IO/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14/h2-5H,1,6-7H2
InChIKeyONPQARBDSQOVER-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodopropoxy)-4-(2,2,2-trifluoroethoxy)benzene
CID 119093818
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
N-[4-(3-chloropropoxy)phenyl]-4-(trifluoromethyl)aniline
CID 23393376
5-[4-(trifluoromethyl)phenoxy]pentanethioamide
CID 54966496
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54001811
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008
2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol
CID 154186424
2,2-dimethyl-5-[4-(trifluoromethyl)phenoxy]pentanoic acid
CID 65254753
12-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenoxy]dodecane-1-thiol
CID 101110834

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene (CID 148798788) is 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(OCCCI)cc1.
What is the InChIKey of 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene?
The InChIKey is ONPQARBDSQOVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14/h2-5H,1,6-7H2.
What are the key properties of 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene?
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene has a molecular weight of 330.09 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodopropoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 148798788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).