2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol

C8H16F3NO — CID 81410950

IUPAC2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,6-13)5-12-4-3-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyUIEPDUSNHLBEQQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds5

About 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol

2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol (PubChem CID 81410950) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol
PubChem CID81410950
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,6-13)5-12-4-3-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyUIEPDUSNHLBEQQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
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 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol (CID 81410950) is 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol is CC(C)(CO)CNCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol?
The InChIKey is UIEPDUSNHLBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,6-13)5-12-4-3-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol?
2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol is sourced from PubChem (CID 81410950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).