3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol

C7H11F6NO — CID 103309810

IUPAC3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol
SMILESOCCCNCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)5(7(11,12)13)4-14-2-1-3-15/h5,14-15H,1-4H2
InChIKeySJCTTYSBFJAPKA-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.70
Rot. Bonds5

About 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol

3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol (PubChem CID 103309810) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol
PubChem CID103309810
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol
SMILESOCCCNCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)5(7(11,12)13)4-14-2-1-3-15/h5,14-15H,1-4H2
InChIKeySJCTTYSBFJAPKA-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.70
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-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol?
The IUPAC name of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol (CID 103309810) is 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol?
The canonical SMILES for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol is OCCCNCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol?
The InChIKey is SJCTTYSBFJAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)5(7(11,12)13)4-14-2-1-3-15/h5,14-15H,1-4H2.
What are the key properties of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol?
3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol has a molecular weight of 239.16 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]propan-1-ol is sourced from PubChem (CID 103309810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).