1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine

C13H25F2NO — CID 114224836

IUPAC1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CC1CCC(F)(F)C1)C(C)OCC
InChIInChI=1S/C13H25F2NO/c1-4-16-12(10(3)17-5-2)8-11-6-7-13(14,15)9-11/h10-12,16H,4-9H2,1-3H3
InChIKeyRUPRLEBPFSUXFM-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.21
Rot. Bonds7

About 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine

1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine (PubChem CID 114224836) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine
PubChem CID114224836
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CC1CCC(F)(F)C1)C(C)OCC
InChIInChI=1S/C13H25F2NO/c1-4-16-12(10(3)17-5-2)8-11-6-7-13(14,15)9-11/h10-12,16H,4-9H2,1-3H3
InChIKeyRUPRLEBPFSUXFM-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N-methyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755097

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine (CID 114224836) is 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine is CCNC(CC1CCC(F)(F)C1)C(C)OCC.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine?
The InChIKey is RUPRLEBPFSUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-16-12(10(3)17-5-2)8-11-6-7-13(14,15)9-11/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine?
1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 114224836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).