(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine

C7H14F3N — CID 122577413

IUPAC(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
SMILESCC(C)[C@H](C)[C@H](N)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4(2)5(3)6(11)7(8,9)10/h4-6H,11H2,1-3H3/t5-,6-/m0/s1
InChIKeyZZESVECTNFHZMB-WDSKDSINSA-N
MW169.19 g/mol
LogP2.17
Rot. Bonds2

About (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine

(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine (PubChem CID 122577413) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
PubChem CID122577413
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
SMILESCC(C)[C@H](C)[C@H](N)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4(2)5(3)6(11)7(8,9)10/h4-6H,11H2,1-3H3/t5-,6-/m0/s1
InChIKeyZZESVECTNFHZMB-WDSKDSINSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine?
The IUPAC name of (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine (CID 122577413) is (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine?
The canonical SMILES for (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine is CC(C)[C@H](C)[C@H](N)C(F)(F)F.
What is the InChIKey of (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine?
The InChIKey is ZZESVECTNFHZMB-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14F3N/c1-4(2)5(3)6(11)7(8,9)10/h4-6H,11H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine?
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 122577413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).