(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol

C7H14F3NO — CID 2376727

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
SMILESCC(C)C[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3/t5-,6-/m0/s1
InChIKeyWZSHMIPUSYLNSA-WDSKDSINSA-N
MW185.19 g/mol
LogP1.28
Rot. Bonds3

About (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol

(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol (PubChem CID 2376727) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
PubChem CID2376727
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
SMILESCC(C)C[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3/t5-,6-/m0/s1
InChIKeyWZSHMIPUSYLNSA-WDSKDSINSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol (CID 2376727) is (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol is CC(C)C[C@H](N)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol?
The InChIKey is WZSHMIPUSYLNSA-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol?
(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol is sourced from PubChem (CID 2376727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).