2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol

C11H20F3NO — CID 88904851

IUPAC2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol
SMILESC=CCCCCC(NC(C)CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-4-5-6-7-10(11(12,13)14)15-9(2)8-16/h3,9-10,15-16H,1,4-8H2,2H3
InChIKeyOIGOKMWVAOCQCH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.63
Rot. Bonds8

About 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol

2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol (PubChem CID 88904851) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol
PubChem CID88904851
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol
SMILESC=CCCCCC(NC(C)CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-4-5-6-7-10(11(12,13)14)15-9(2)8-16/h3,9-10,15-16H,1,4-8H2,2H3
InChIKeyOIGOKMWVAOCQCH-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol?
The IUPAC name of 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol (CID 88904851) is 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol?
The canonical SMILES for 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol is C=CCCCCC(NC(C)CO)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol?
The InChIKey is OIGOKMWVAOCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-4-5-6-7-10(11(12,13)14)15-9(2)8-16/h3,9-10,15-16H,1,4-8H2,2H3.
What are the key properties of 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol?
2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluorooct-7-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 88904851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).