3-(decylamino)-1,1,1-trifluoropropan-2-ol

C13H26F3NO — CID 78971582

IUPAC3-(decylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCCCNCC(O)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)13(14,15)16/h12,17-18H,2-11H2,1H3
InChIKeyNLZXWAPSKLJZPF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.64
Rot. Bonds11

About 3-(decylamino)-1,1,1-trifluoropropan-2-ol

3-(decylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 78971582) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(decylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(decylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID78971582
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name3-(decylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCCCNCC(O)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)13(14,15)16/h12,17-18H,2-11H2,1H3
InChIKeyNLZXWAPSKLJZPF-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.64
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 3-(decylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(decylamino)-1,1,1-trifluoropropan-2-ol (CID 78971582) is 3-(decylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(decylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(decylamino)-1,1,1-trifluoropropan-2-ol is CCCCCCCCCCNCC(O)C(F)(F)F.
What is the InChIKey of 3-(decylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NLZXWAPSKLJZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)13(14,15)16/h12,17-18H,2-11H2,1H3.
What are the key properties of 3-(decylamino)-1,1,1-trifluoropropan-2-ol?
3-(decylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 78971582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).