1,1,3,4,4-pentafluoro-1-iodobutane

C4H4F5I — CID 150789350

IUPAC1,1,3,4,4-pentafluoro-1-iodobutane
SMILESFC(F)C(F)CC(F)(F)I
InChIInChI=1S/C4H4F5I/c5-2(3(6)7)1-4(8,9)10/h2-3H,1H2
InChIKeyKDNCOHDTOUWBQR-UHFFFAOYSA-N
MW273.97 g/mol
LogP3.01
Rot. Bonds3

About 1,1,3,4,4-pentafluoro-1-iodobutane

1,1,3,4,4-pentafluoro-1-iodobutane (PubChem CID 150789350) has the molecular formula C4H4F5I and a molecular weight of 273.97 g/mol. Its IUPAC name is 1,1,3,4,4-pentafluoro-1-iodobutane.

Molecular Properties

Compound Name1,1,3,4,4-pentafluoro-1-iodobutane
PubChem CID150789350
Molecular FormulaC4H4F5I
Molecular Weight273.97 g/mol
Exact Mass273.93
IUPAC Name1,1,3,4,4-pentafluoro-1-iodobutane
SMILESFC(F)C(F)CC(F)(F)I
InChIInChI=1S/C4H4F5I/c5-2(3(6)7)1-4(8,9)10/h2-3H,1H2
InChIKeyKDNCOHDTOUWBQR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 53.01
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

1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
1,1,5-trifluoro-1-iodo-3,5-dimethylhexane
CID 89295092
(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
CID 173091582
1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane
CID 15497387
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane
CID 170556920
1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane
CID 175702758
1,1,1,3,3-pentafluoro-2,2-diiodopropane
CID 175825482
tetrakis(2,3,3-trifluoropropyl)silane
CID 87192485
1,1,2,2,4,4-hexafluoro-1-(1,1,2,2,4,4-hexafluorobutoxy)butane
CID 87322712
1,1,2,6,6-pentafluorooctane
CID 175132784

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4-pentafluoro-1-iodobutane?
The IUPAC name of 1,1,3,4,4-pentafluoro-1-iodobutane (CID 150789350) is 1,1,3,4,4-pentafluoro-1-iodobutane.
What is the SMILES notation for 1,1,3,4,4-pentafluoro-1-iodobutane?
The canonical SMILES for 1,1,3,4,4-pentafluoro-1-iodobutane is FC(F)C(F)CC(F)(F)I.
What is the InChIKey of 1,1,3,4,4-pentafluoro-1-iodobutane?
The InChIKey is KDNCOHDTOUWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5I/c5-2(3(6)7)1-4(8,9)10/h2-3H,1H2.
What are the key properties of 1,1,3,4,4-pentafluoro-1-iodobutane?
1,1,3,4,4-pentafluoro-1-iodobutane has a molecular weight of 273.97 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4-pentafluoro-1-iodobutane is sourced from PubChem (CID 150789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).