3,3,4,4-tetrafluoro-1-iodohexane

C6H9F4I — CID 151236559

IUPAC3,3,4,4-tetrafluoro-1-iodohexane
SMILESCCC(F)(F)C(F)(F)CCI
InChIInChI=1S/C6H9F4I/c1-2-5(7,8)6(9,10)3-4-11/h2-4H2,1H3
InChIKeyNPKBAKGUDPJKEE-UHFFFAOYSA-N
MW284.03 g/mol
LogP3.49
Rot. Bonds4

About 3,3,4,4-tetrafluoro-1-iodohexane

3,3,4,4-tetrafluoro-1-iodohexane (PubChem CID 151236559) has the molecular formula C6H9F4I and a molecular weight of 284.03 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-iodohexane.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-iodohexane
PubChem CID151236559
Molecular FormulaC6H9F4I
Molecular Weight284.03 g/mol
Exact Mass283.97
IUPAC Name3,3,4,4-tetrafluoro-1-iodohexane
SMILESCCC(F)(F)C(F)(F)CCI
InChIInChI=1S/C6H9F4I/c1-2-5(7,8)6(9,10)3-4-11/h2-4H2,1H3
InChIKeyNPKBAKGUDPJKEE-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 53.49
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

2,2,3,3-tetrafluoropentane
CID 12951106
2,2,3,3-tetrafluoro-1-methoxypentane
CID 168826300
1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
CID 59211709
2,3,3,4,4-pentafluoro-2-methylhexane
CID 170083407
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,2,2,3,3,5,5,6,6-decafluorooctane
CID 59211715
1,1-difluoro-1-iodo-5-(2-iodoethyl)-5-(trifluoromethyl)nonane
CID 126547472
(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
CID 97291082
ethane;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-pentacosafluorotetradecane
CID 142493287

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1-iodohexane?
The IUPAC name of 3,3,4,4-tetrafluoro-1-iodohexane (CID 151236559) is 3,3,4,4-tetrafluoro-1-iodohexane.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-iodohexane?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-iodohexane is CCC(F)(F)C(F)(F)CCI.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-iodohexane?
The InChIKey is NPKBAKGUDPJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4I/c1-2-5(7,8)6(9,10)3-4-11/h2-4H2,1H3.
What are the key properties of 3,3,4,4-tetrafluoro-1-iodohexane?
3,3,4,4-tetrafluoro-1-iodohexane has a molecular weight of 284.03 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1-iodohexane is sourced from PubChem (CID 151236559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).