2,5-difluoro-1-iodopentane

C5H9F2I — CID 175232085

IUPAC2,5-difluoro-1-iodopentane
SMILESFCCCC(F)CI
InChIInChI=1S/C5H9F2I/c6-3-1-2-5(7)4-8/h5H,1-4H2
InChIKeyPUFBXJPEBHVXHZ-UHFFFAOYSA-N
MW234.03 g/mol
LogP2.51
Rot. Bonds4

About 2,5-difluoro-1-iodopentane

2,5-difluoro-1-iodopentane (PubChem CID 175232085) has the molecular formula C5H9F2I and a molecular weight of 234.03 g/mol. Its IUPAC name is 2,5-difluoro-1-iodopentane.

Molecular Properties

Compound Name2,5-difluoro-1-iodopentane
PubChem CID175232085
Molecular FormulaC5H9F2I
Molecular Weight234.03 g/mol
Exact Mass233.97
IUPAC Name2,5-difluoro-1-iodopentane
SMILESFCCCC(F)CI
InChIInChI=1S/C5H9F2I/c6-3-1-2-5(7)4-8/h5H,1-4H2
InChIKeyPUFBXJPEBHVXHZ-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.03
LogP ≤ 52.51
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'}

Analyze 2,5-difluoro-1-iodopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,5-trifluoropentane
CID 87247739
2-(7-fluoro-8-iodooctyl)oxirane
CID 10924554
1,7-difluorononane
CID 168864708
1,1-dibromo-4-fluorobutane
CID 54091383
1,1-dichloro-4-fluorobutane
CID 22321169
(3S)-1,3-difluoroheptane
CID 148515317
2-(3-fluoropropyl)propane-1,3-diol
CID 14985208
1,6-difluoro-3-methylhexane
CID 146258834
4,8-difluoro-5-iodooct-1-yne
CID 166654812
2,3,6-trifluorohexane-1,1,1-triol
CID 166745250
1-fluoro-12-iodododecane
CID 138596660
4,5-diethyl-1-fluoroheptane
CID 123254760

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-1-iodopentane?
The IUPAC name of 2,5-difluoro-1-iodopentane (CID 175232085) is 2,5-difluoro-1-iodopentane.
What is the SMILES notation for 2,5-difluoro-1-iodopentane?
The canonical SMILES for 2,5-difluoro-1-iodopentane is FCCCC(F)CI.
What is the InChIKey of 2,5-difluoro-1-iodopentane?
The InChIKey is PUFBXJPEBHVXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2I/c6-3-1-2-5(7)4-8/h5H,1-4H2.
What are the key properties of 2,5-difluoro-1-iodopentane?
2,5-difluoro-1-iodopentane has a molecular weight of 234.03 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-1-iodopentane is sourced from PubChem (CID 175232085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).