1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

C13H24F3NO — CID 103168856

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-11(5-6-13(14,15)16)7-10-8-12(9-10)18-4-2/h10-12,17H,3-9H2,1-2H3
InChIKeyPCMOCTLQFYKIPH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds8

About 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 103168856) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID103168856
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-11(5-6-13(14,15)16)7-10-8-12(9-10)18-4-2/h10-12,17H,3-9H2,1-2H3
InChIKeyPCMOCTLQFYKIPH-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 103168856) is 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is PCMOCTLQFYKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-11(5-6-13(14,15)16)7-10-8-12(9-10)18-4-2/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 103168856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).