(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane

C8H14F3I — CID 89053910

IUPAC(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
SMILESCCCCC[C@@H](CI)C(F)(F)F
InChIInChI=1S/C8H14F3I/c1-2-3-4-5-7(6-12)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyHXYZTVBTUKFOGP-ZETCQYMHSA-N
MW294.10 g/mol
LogP4.18
Rot. Bonds5

About (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane

(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane (PubChem CID 89053910) has the molecular formula C8H14F3I and a molecular weight of 294.10 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
PubChem CID89053910
Molecular FormulaC8H14F3I
Molecular Weight294.10 g/mol
Exact Mass294.01
IUPAC Name(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
SMILESCCCCC[C@@H](CI)C(F)(F)F
InChIInChI=1S/C8H14F3I/c1-2-3-4-5-7(6-12)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyHXYZTVBTUKFOGP-ZETCQYMHSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)decane;yttrium(3+)
CID 20801388
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
CID 58419046
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
4-(trifluoromethyl)decanoic acid
CID 88597361
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
6-tert-butylundecane
CID 90714582
1,1,1-trifluoro-2-(hexoxymethyl)hexane
CID 174973780
18-(iodomethyl)hexatriacontane
CID 59202244

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane?
The IUPAC name of (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane (CID 89053910) is (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane is CCCCC[C@@H](CI)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane?
The InChIKey is HXYZTVBTUKFOGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3I/c1-2-3-4-5-7(6-12)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane?
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane has a molecular weight of 294.10 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-(iodomethyl)heptane is sourced from PubChem (CID 89053910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).