2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol

Name: 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₂F₃NO₂ — CID 64804499

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol

SMILESCCCNC(C)(CO)CCCOCC(F)(F)F

InChIInChI=1S/C11H22F3NO2/c1-3-6-15-10(2,8-16)5-4-7-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3

InChIKeyMUPIVXGJHDNTSI-UHFFFAOYSA-N

MW257.30 g/mol

LogP2.10

Rot. Bonds9

About 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol

2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 64804499) has the molecular formula C₁₁H₂₂F₃NO₂ and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name	2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID	64804499
Molecular Formula	C₁₁H₂₂F₃NO₂
Molecular Weight	257.30 g/mol
Exact Mass	257.16
IUPAC Name	2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILES	CCCNC(C)(CO)CCCOCC(F)(F)F
InChI	InChI=1S/C11H22F3NO2/c1-3-6-15-10(2,8-16)5-4-7-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKey	MUPIVXGJHDNTSI-UHFFFAOYSA-N
XLogP	2.10
TPSA	41.49 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	9
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.30
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The IUPAC name of 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 64804499) is 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

What is the SMILES notation for 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The canonical SMILES for 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol is CCCNC(C)(CO)CCCOCC(F)(F)F.

What is the InChIKey of 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The InChIKey is MUPIVXGJHDNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-6-15-10(2,8-16)5-4-7-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3.

What are the key properties of 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 64804499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 64804499 — identifiers, structure, computed properties (public domain)

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