N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine

C9H18F3NO — CID 82958415

IUPACN-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
SMILESCCNCC(CC)OCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-8(7-13-4-2)14-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyGPJYAEHJXNTVKV-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds7

About N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine

N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine (PubChem CID 82958415) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
PubChem CID82958415
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
SMILESCCNCC(CC)OCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-8(7-13-4-2)14-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyGPJYAEHJXNTVKV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine (CID 82958415) is N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine is CCNCC(CC)OCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine?
The InChIKey is GPJYAEHJXNTVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-8(7-13-4-2)14-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine?
N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine is sourced from PubChem (CID 82958415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).