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

C7H13F3 — CID 59287976

IUPAC(2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane
SMILESCC[C@H](C)[C@H](C)C(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-5(2)6(3)7(8,9)10/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyLYAWDPWGHPVXBC-WDSKDSINSA-N
MW154.17 g/mol
LogP3.23
Rot. Bonds2

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

(2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane (PubChem CID 59287976) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane.

Molecular Properties

Compound Name(2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane
PubChem CID59287976
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name(2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane
SMILESCC[C@H](C)[C@H](C)C(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-5(2)6(3)7(8,9)10/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyLYAWDPWGHPVXBC-WDSKDSINSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane?
The IUPAC name of (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane (CID 59287976) is (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane.
What is the SMILES notation for (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane?
The canonical SMILES for (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane is CC[C@H](C)[C@H](C)C(F)(F)F.
What is the InChIKey of (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane?
The InChIKey is LYAWDPWGHPVXBC-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F3/c1-4-5(2)6(3)7(8,9)10/h5-6H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane?
(2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane has a molecular weight of 154.17 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,1,1-trifluoro-2,3-dimethylpentane is sourced from PubChem (CID 59287976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).