2,4-dichloro-1,1,2-trifluoro-1-iodobutane

C4H4Cl2F3I — CID 102408197

IUPAC2,4-dichloro-1,1,2-trifluoro-1-iodobutane
SMILESFC(F)(I)C(F)(Cl)CCCl
InChIInChI=1S/C4H4Cl2F3I/c5-2-1-3(6,7)4(8,9)10/h1-2H2
InChIKeyJXPCDYRNMDVBFY-UHFFFAOYSA-N
MW306.88 g/mol
LogP3.55
Rot. Bonds3

About 2,4-dichloro-1,1,2-trifluoro-1-iodobutane

2,4-dichloro-1,1,2-trifluoro-1-iodobutane (PubChem CID 102408197) has the molecular formula C4H4Cl2F3I and a molecular weight of 306.88 g/mol. Its IUPAC name is 2,4-dichloro-1,1,2-trifluoro-1-iodobutane.

Molecular Properties

Compound Name2,4-dichloro-1,1,2-trifluoro-1-iodobutane
PubChem CID102408197
Molecular FormulaC4H4Cl2F3I
Molecular Weight306.88 g/mol
Exact Mass305.87
IUPAC Name2,4-dichloro-1,1,2-trifluoro-1-iodobutane
SMILESFC(F)(I)C(F)(Cl)CCCl
InChIInChI=1S/C4H4Cl2F3I/c5-2-1-3(6,7)4(8,9)10/h1-2H2
InChIKeyJXPCDYRNMDVBFY-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 53.55
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

4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491
1,1,5-trichloro-1-fluoropentane
CID 559210
1-bromo-1,1,3-trichloropropane
CID 14366603
1,2,4-trichloro-2-(chloromethyl)butane
CID 54355811
1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
CID 11046660
1,1,4,4-tetrachloro-1,4-difluorobutane
CID 19764101
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 2736614
1,1,1,3-tetrachloropropane;trichloroalumane
CID 174769747
3-chloro-1,1,1-trifluoropropane;1,1,1,3-tetrachloropropane;3,3,3-trifluoroprop-1-ene
CID 159816645
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,1,2-trifluoro-1-iodobutane?
The IUPAC name of 2,4-dichloro-1,1,2-trifluoro-1-iodobutane (CID 102408197) is 2,4-dichloro-1,1,2-trifluoro-1-iodobutane.
What is the SMILES notation for 2,4-dichloro-1,1,2-trifluoro-1-iodobutane?
The canonical SMILES for 2,4-dichloro-1,1,2-trifluoro-1-iodobutane is FC(F)(I)C(F)(Cl)CCCl.
What is the InChIKey of 2,4-dichloro-1,1,2-trifluoro-1-iodobutane?
The InChIKey is JXPCDYRNMDVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2F3I/c5-2-1-3(6,7)4(8,9)10/h1-2H2.
What are the key properties of 2,4-dichloro-1,1,2-trifluoro-1-iodobutane?
2,4-dichloro-1,1,2-trifluoro-1-iodobutane has a molecular weight of 306.88 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,1,2-trifluoro-1-iodobutane is sourced from PubChem (CID 102408197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).