(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol

C11H22F3NO — CID 14379914

IUPAC(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
SMILESCCCCCC[C@H](O)C[C@H](NC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(16)8-10(15-2)11(12,13)14/h9-10,15-16H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyFUBINHWHSSXRAP-UWVGGRQHSA-N
MW241.30 g/mol
LogP2.86
Rot. Bonds8

About (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol

(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol (PubChem CID 14379914) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol.

Molecular Properties

Compound Name(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
PubChem CID14379914
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
SMILESCCCCCC[C@H](O)C[C@H](NC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(16)8-10(15-2)11(12,13)14/h9-10,15-16H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyFUBINHWHSSXRAP-UWVGGRQHSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol?
The IUPAC name of (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol (CID 14379914) is (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol.
What is the SMILES notation for (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol?
The canonical SMILES for (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol is CCCCCC[C@H](O)C[C@H](NC)C(F)(F)F.
What is the InChIKey of (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol?
The InChIKey is FUBINHWHSSXRAP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(16)8-10(15-2)11(12,13)14/h9-10,15-16H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol?
(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol has a molecular weight of 241.30 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol is sourced from PubChem (CID 14379914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).