4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine

C11H21F2NO2 — CID 103149018

IUPAC4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCOCC1
InChIInChI=1S/C11H21F2NO2/c12-11(13)8-16-6-3-10(14)7-9-1-4-15-5-2-9/h9-11H,1-8,14H2
InChIKeyQTSIHRPYGURPMH-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.80
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine

4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine (PubChem CID 103149018) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine
PubChem CID103149018
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCOCC1
InChIInChI=1S/C11H21F2NO2/c12-11(13)8-16-6-3-10(14)7-9-1-4-15-5-2-9/h9-11H,1-8,14H2
InChIKeyQTSIHRPYGURPMH-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
1-(Oxan-3-yl)propan-1-amine
CID 65332455
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
3-Propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 62914912
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine (CID 103149018) is 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine is NC(CCOCC(F)F)CC1CCOCC1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine?
The InChIKey is QTSIHRPYGURPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-11(13)8-16-6-3-10(14)7-9-1-4-15-5-2-9/h9-11H,1-8,14H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine has a molecular weight of 237.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 103149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).