2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane

C5F11I — CID 139983372

IUPAC2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C5F11I/c6-1(3(9,10)11,5(15,16)17)2(7,8)4(12,13)14
InChIKeyBSQMVWGUHWCKTM-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.48
Rot. Bonds2

About 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane

2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane (PubChem CID 139983372) has the molecular formula C5F11I and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
PubChem CID139983372
Molecular FormulaC5F11I
Molecular Weight395.94 g/mol
Exact Mass395.89
IUPAC Name2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C5F11I/c6-1(3(9,10)11,5(15,16)17)2(7,8)4(12,13)14
InChIKeyBSQMVWGUHWCKTM-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.48
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 174566096
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
CID 89413596
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-hentriacontafluoro-14-iodopentadecane
CID 156790001
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane
CID 87743643
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
guanidine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane
CID 174886297
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane (CID 139983372) is 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane is FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I.
What is the InChIKey of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is BSQMVWGUHWCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F11I/c6-1(3(9,10)11,5(15,16)17)2(7,8)4(12,13)14.
What are the key properties of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane?
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 395.94 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 139983372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).