1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene

C9H7ClF3I — CID 102144336

IUPAC1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
SMILESFC(F)(F)CC(I)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClF3I/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8H,5H2
InChIKeyAJZDBXMQTKQODZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.77
Rot. Bonds2

About 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene

1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene (PubChem CID 102144336) has the molecular formula C9H7ClF3I and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
PubChem CID102144336
Molecular FormulaC9H7ClF3I
Molecular Weight334.51 g/mol
Exact Mass333.92
IUPAC Name1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
SMILESFC(F)(F)CC(I)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClF3I/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8H,5H2
InChIKeyAJZDBXMQTKQODZ-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.77
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

2-(4-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 72723440
(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
CID 164684484
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 54771882
1-chloro-4-[2-iodo-1-(4,4,4-trifluorobutoxy)ethyl]benzene
CID 114774807
[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
1-(1-chloro-3,3,3-trifluoropropyl)-4-fluorobenzene
CID 61083121
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene?
The IUPAC name of 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene (CID 102144336) is 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene.
What is the SMILES notation for 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene?
The canonical SMILES for 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene is FC(F)(F)CC(I)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene?
The InChIKey is AJZDBXMQTKQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3I/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8H,5H2.
What are the key properties of 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene?
1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene has a molecular weight of 334.51 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene is sourced from PubChem (CID 102144336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).