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

C11H21F2NO2 — CID 103921693

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 Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol
PubChem CID103921693
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name3-[(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
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
CID 163393202
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
CID 167099875
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
4-Methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169760200
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802825
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804707
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804912
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373

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).