2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol

C12H24F3NO2 — CID 82793916

IUPAC2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)OCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-4-16-11(3,9-17)8-10(2)18-7-5-6-12(13,14)15/h10,16-17H,4-9H2,1-3H3
InChIKeyNCTPXHYSBBBGLC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds9

About 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol

2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol (PubChem CID 82793916) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
PubChem CID82793916
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)OCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-4-16-11(3,9-17)8-10(2)18-7-5-6-12(13,14)15/h10,16-17H,4-9H2,1-3H3
InChIKeyNCTPXHYSBBBGLC-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
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 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol (CID 82793916) is 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol is CCNC(C)(CO)CC(C)OCCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol?
The InChIKey is NCTPXHYSBBBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-4-16-11(3,9-17)8-10(2)18-7-5-6-12(13,14)15/h10,16-17H,4-9H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol?
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol has a molecular weight of 271.32 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol is sourced from PubChem (CID 82793916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).