1,1,2,2,3,4,4-heptafluoro-1-iodobutane

C4H2F7I — CID 19937939

IUPAC1,1,2,2,3,4,4-heptafluoro-1-iodobutane
SMILESFC(F)C(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F7I/c5-1(2(6)7)3(8,9)4(10,11)12/h1-2H
InChIKeyAGSUMBZJMVCPNV-UHFFFAOYSA-N
MW309.95 g/mol
LogP3.25
Rot. Bonds3

About 1,1,2,2,3,4,4-heptafluoro-1-iodobutane

1,1,2,2,3,4,4-heptafluoro-1-iodobutane (PubChem CID 19937939) has the molecular formula C4H2F7I and a molecular weight of 309.95 g/mol. Its IUPAC name is 1,1,2,2,3,4,4-heptafluoro-1-iodobutane.

Molecular Properties

Compound Name1,1,2,2,3,4,4-heptafluoro-1-iodobutane
PubChem CID19937939
Molecular FormulaC4H2F7I
Molecular Weight309.95 g/mol
Exact Mass309.91
IUPAC Name1,1,2,2,3,4,4-heptafluoro-1-iodobutane
SMILESFC(F)C(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F7I/c5-1(2(6)7)3(8,9)4(10,11)12/h1-2H
InChIKeyAGSUMBZJMVCPNV-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 53.25
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

1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate
CID 22112541
1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
CID 91394956
3-bromo-1,1,2,2-tetrafluoro-1-iodobutane
CID 174527148
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466589
2,2-bis(1,1,2,2,3,4,4-heptafluorobutoxymethyl)propane-1,3-diamine
CID 19043782
1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene
CID 175387011
1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
CID 87613315
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
(2R)-1,1,1,3,3-pentafluoropropan-2-amine
CID 130625180
2,2,3,3-tetrafluoro-3-iodopropanamide
CID 10945538
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4-heptafluoro-1-iodobutane?
The IUPAC name of 1,1,2,2,3,4,4-heptafluoro-1-iodobutane (CID 19937939) is 1,1,2,2,3,4,4-heptafluoro-1-iodobutane.
What is the SMILES notation for 1,1,2,2,3,4,4-heptafluoro-1-iodobutane?
The canonical SMILES for 1,1,2,2,3,4,4-heptafluoro-1-iodobutane is FC(F)C(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,4,4-heptafluoro-1-iodobutane?
The InChIKey is AGSUMBZJMVCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7I/c5-1(2(6)7)3(8,9)4(10,11)12/h1-2H.
What are the key properties of 1,1,2,2,3,4,4-heptafluoro-1-iodobutane?
1,1,2,2,3,4,4-heptafluoro-1-iodobutane has a molecular weight of 309.95 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4-heptafluoro-1-iodobutane is sourced from PubChem (CID 19937939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).