1,1,3-trifluoro-1,2-diiodopropane

C3H3F3I2 — CID 175825475

IUPAC1,1,3-trifluoro-1,2-diiodopropane
SMILESFCC(I)C(F)(F)I
InChIInChI=1S/C3H3F3I2/c4-1-2(7)3(5,6)8/h2H,1H2
InChIKeyFGSNVPMDBVVDBZ-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.79
Rot. Bonds2

About 1,1,3-trifluoro-1,2-diiodopropane

1,1,3-trifluoro-1,2-diiodopropane (PubChem CID 175825475) has the molecular formula C3H3F3I2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1,1,3-trifluoro-1,2-diiodopropane.

Molecular Properties

Compound Name1,1,3-trifluoro-1,2-diiodopropane
PubChem CID175825475
Molecular FormulaC3H3F3I2
Molecular Weight349.86 g/mol
Exact Mass349.83
IUPAC Name1,1,3-trifluoro-1,2-diiodopropane
SMILESFCC(I)C(F)(F)I
InChIInChI=1S/C3H3F3I2/c4-1-2(7)3(5,6)8/h2H,1H2
InChIKeyFGSNVPMDBVVDBZ-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.79
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

(2R)-3,3,3-trifluoro-2-iodopropan-1-ol
CID 126560574
1,2-difluoro-2-iodopropane
CID 175825476
1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane
CID 15497387
1,2-difluoro-1-iodoethane
CID 23510624
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
1-amino-2,2-difluoro-2-iodoethanol
CID 146752518
4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
CID 22613639
1,1,1,4,4,4-hexafluoro-2,3-diiodobutane
CID 139684738
trifluoro(iodo)methane;zinc
CID 88708055
(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol
CID 162586330
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
CID 139244935

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-1,2-diiodopropane?
The IUPAC name of 1,1,3-trifluoro-1,2-diiodopropane (CID 175825475) is 1,1,3-trifluoro-1,2-diiodopropane.
What is the SMILES notation for 1,1,3-trifluoro-1,2-diiodopropane?
The canonical SMILES for 1,1,3-trifluoro-1,2-diiodopropane is FCC(I)C(F)(F)I.
What is the InChIKey of 1,1,3-trifluoro-1,2-diiodopropane?
The InChIKey is FGSNVPMDBVVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3I2/c4-1-2(7)3(5,6)8/h2H,1H2.
What are the key properties of 1,1,3-trifluoro-1,2-diiodopropane?
1,1,3-trifluoro-1,2-diiodopropane has a molecular weight of 349.86 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-1,2-diiodopropane is sourced from PubChem (CID 175825475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).