4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol

C12H24F3NO2 — CID 107152188

IUPAC4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-11(2,3)7-10(17)8-16-5-4-6-18-9-12(13,14)15/h10,16-17H,4-9H2,1-3H3
InChIKeyYDCOVFLOVVWJBQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds8

About 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol

4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol (PubChem CID 107152188) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
PubChem CID107152188
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-11(2,3)7-10(17)8-16-5-4-6-18-9-12(13,14)15/h10,16-17H,4-9H2,1-3H3
InChIKeyYDCOVFLOVVWJBQ-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
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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Related Compounds

2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
methyl 2-bromo-3-[3-(2,2,2-trifluoroethoxy)propylamino]propanoate
CID 103492218
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]but-2-en-1-amine
CID 106546970
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 107152050
1-(ethylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166141
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol (CID 107152188) is 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol is CC(C)(C)CC(O)CNCCCOCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol?
The InChIKey is YDCOVFLOVVWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-11(2,3)7-10(17)8-16-5-4-6-18-9-12(13,14)15/h10,16-17H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol?
4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol is sourced from PubChem (CID 107152188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).