1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine

C13H25F2NO — CID 114224940

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

About 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine

1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine (PubChem CID 114224940) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine
PubChem CID114224940
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine
SMILESCCCC(OCC)C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-5-12(17-4-2)11(16)8-10-6-7-13(14,15)9-10/h10-12H,3-9,16H2,1-2H3
InChIKeyCMGKSYVCDPORTQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine (CID 114224940) is 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine is CCCC(OCC)C(N)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine?
The InChIKey is CMGKSYVCDPORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-3-5-12(17-4-2)11(16)8-10-6-7-13(14,15)9-10/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine?
1-(3,3-difluorocyclopentyl)-3-ethoxyhexan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.34, 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-ethoxyhexan-2-amine is sourced from PubChem (CID 114224940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).