5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol

C10H21F3N2O — CID 107198476

IUPAC5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-15(7-3-2-4-8-16)9(5-6-14)10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyGZUJQRVSKNUZBC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds8

About 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol

5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol (PubChem CID 107198476) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
PubChem CID107198476
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-15(7-3-2-4-8-16)9(5-6-14)10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyGZUJQRVSKNUZBC-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol (CID 107198476) is 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol is CN(CCCCCO)C(CCN)C(F)(F)F.
What is the InChIKey of 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The InChIKey is GZUJQRVSKNUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-15(7-3-2-4-8-16)9(5-6-14)10(11,12)13/h9,16H,2-8,14H2,1H3.
What are the key properties of 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107198476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).