(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane

C7H12F3I — CID 155394559

IUPAC(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
SMILESCC(C)C(I)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3I/c1-4(2)6(11)5(3)7(8,9)10/h4-6H,1-3H3/t5-,6?/m1/s1
InChIKeyKWKYPXBVECVNFI-LWOQYNTDSA-N
MW280.07 g/mol
LogP3.64
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane

(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane (PubChem CID 155394559) has the molecular formula C7H12F3I and a molecular weight of 280.07 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
PubChem CID155394559
Molecular FormulaC7H12F3I
Molecular Weight280.07 g/mol
Exact Mass279.99
IUPAC Name(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
SMILESCC(C)C(I)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3I/c1-4(2)6(11)5(3)7(8,9)10/h4-6H,1-3H3/t5-,6?/m1/s1
InChIKeyKWKYPXBVECVNFI-LWOQYNTDSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 53.64
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

4-Methyl-2-pentylidene difluoride
CID 21733020
1,1,1,2,2,3,3-Heptafluoro-5-iodo-5-methylhexane
CID 134988789
1,2,2-Trifluoro-4-methylpentane
CID 153850854
2-Fluoro-3-iodo-2-methylpentane
CID 15394943
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)hexane
CID 2760571
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)pentane
CID 2782603
1,1,1-Trifluoro-3-iodo-2-methylbutane
CID 12578241
1,1,1-Trifluoro-2-(iodomethyl)butane
CID 12578255
2,4-Dimethyl-3,3-difluoropentane
CID 14917272
1,1,1-Trifluoro-2-methylpentane
CID 17947075
1,1,1-Trifluoro-4-iodo-2-methylbutane
CID 19090856
3,3-Difluoro-2-methylpentane
CID 20748883

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane?
The IUPAC name of (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane (CID 155394559) is (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane is CC(C)C(I)[C@@H](C)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane?
The InChIKey is KWKYPXBVECVNFI-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H12F3I/c1-4(2)6(11)5(3)7(8,9)10/h4-6H,1-3H3/t5-,6?/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane?
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane has a molecular weight of 280.07 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane is sourced from PubChem (CID 155394559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).