3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol

C10H19F2NO2 — CID 103082597

IUPAC3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCOCC(F)F
InChIInChI=1S/C10H19F2NO2/c1-10(2)7(5-8(10)14)13-3-4-15-6-9(11)12/h7-9,13-14H,3-6H2,1-2H3
InChIKeyQAEOFPANUWCSKM-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103082597) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103082597
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCOCC(F)F
InChIInChI=1S/C10H19F2NO2/c1-10(2)7(5-8(10)14)13-3-4-15-6-9(11)12/h7-9,13-14H,3-6H2,1-2H3
InChIKeyQAEOFPANUWCSKM-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.02
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

(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
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]pentan-1-ol
CID 61490392
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 103082597) is 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCCOCC(F)F.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is QAEOFPANUWCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-10(2)7(5-8(10)14)13-3-4-15-6-9(11)12/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103082597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).