2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine

C14H25F2NO — CID 114225754

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1CCC(C)O1
InChIInChI=1S/C14H25F2NO/c1-3-17-12(13-5-4-10(2)18-13)8-11-6-7-14(15,16)9-11/h10-13,17H,3-9H2,1-2H3
InChIKeyMBHVUIAHBCSUOE-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 114225754) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID114225754
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1CCC(C)O1
InChIInChI=1S/C14H25F2NO/c1-3-17-12(13-5-4-10(2)18-13)8-11-6-7-14(15,16)9-11/h10-13,17H,3-9H2,1-2H3
InChIKeyMBHVUIAHBCSUOE-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine (CID 114225754) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)C1CCC(C)O1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is MBHVUIAHBCSUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-3-17-12(13-5-4-10(2)18-13)8-11-6-7-14(15,16)9-11/h10-13,17H,3-9H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 114225754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).