3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol

Name: 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₁F₂NO₂ — CID 103921693

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

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol

SMILESCCOC1CC(NCC(O)C(F)F)C1(C)C

InChIInChI=1S/C11H21F2NO2/c1-4-16-9-5-8(11(9,2)3)14-6-7(15)10(12)13/h7-10,14-15H,4-6H2,1-3H3

InChIKeyMHLDWVGIQYJISW-UHFFFAOYSA-N

MW237.29 g/mol

LogP1.41

Rot. Bonds6

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103921693) has the molecular formula C₁₁H₂₁F₂NO₂ and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name	3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol
PubChem CID	103921693
Molecular Formula	C₁₁H₂₁F₂NO₂
Molecular Weight	237.29 g/mol
Exact Mass	237.15
IUPAC Name	3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol
SMILES	CCOC1CC(NCC(O)C(F)F)C1(C)C
InChI	InChI=1S/C11H21F2NO2/c1-4-16-9-5-8(11(9,2)3)14-6-7(15)10(12)13/h7-10,14-15H,4-6H2,1-3H3
InChIKey	MHLDWVGIQYJISW-UHFFFAOYSA-N
XLogP	1.41
TPSA	41.49 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.29
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol?

The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol (CID 103921693) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol.

What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol?

The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol is CCOC1CC(NCC(O)C(F)F)C1(C)C.

What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol?

The InChIKey is MHLDWVGIQYJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-4-16-9-5-8(11(9,2)3)14-6-7(15)10(12)13/h7-10,14-15H,4-6H2,1-3H3.

What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol?

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 237.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103921693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103921693 — identifiers, structure, computed properties (public domain)

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