(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane

C4H5F4I — CID 23236245

IUPAC(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
SMILESC[C@@H]([C@@H](F)I)C(F)(F)F
InChIInChI=1S/C4H5F4I/c1-2(3(5)9)4(6,7)8/h2-3H,1H3/t2-,3-/m0/s1
InChIKeyJVVVSVGPAPZIQS-HRFVKAFMSA-N
MW255.98 g/mol
LogP2.92
Rot. Bonds1

About (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane

(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane (PubChem CID 23236245) has the molecular formula C4H5F4I and a molecular weight of 255.98 g/mol. Its IUPAC name is (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane.

Molecular Properties

Compound Name(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
PubChem CID23236245
Molecular FormulaC4H5F4I
Molecular Weight255.98 g/mol
Exact Mass255.94
IUPAC Name(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
SMILESC[C@@H]([C@@H](F)I)C(F)(F)F
InChIInChI=1S/C4H5F4I/c1-2(3(5)9)4(6,7)8/h2-3H,1H3/t2-,3-/m0/s1
InChIKeyJVVVSVGPAPZIQS-HRFVKAFMSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.98
LogP ≤ 52.92
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

1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1,1,1-trifluoro-2-iodo-3-methylbutane
CID 147405184
1,1,1,4,4,4-hexafluoro-2,3-diiodobutane
CID 139684738
1,1,1-trifluoro-2-iodo-3,4-dimethylpentane
CID 155242181
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
3-deuterio-1,1,1,5,5,5-hexafluoro-2,3,4-trimethylpentane
CID 169301185
1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane
CID 152703075
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane?
The IUPAC name of (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane (CID 23236245) is (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane.
What is the SMILES notation for (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane?
The canonical SMILES for (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane is C[C@@H]([C@@H](F)I)C(F)(F)F.
What is the InChIKey of (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane?
The InChIKey is JVVVSVGPAPZIQS-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H5F4I/c1-2(3(5)9)4(6,7)8/h2-3H,1H3/t2-,3-/m0/s1.
What are the key properties of (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane?
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane has a molecular weight of 255.98 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane is sourced from PubChem (CID 23236245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).