N-(2,2,2-trifluoroethoxy)pentan-3-amine

C7H14F3NO — CID 82711217

IUPACN-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCC(CC)NOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(4-2)11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyTXVIUPYUWWOWAF-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.26
Rot. Bonds5

About N-(2,2,2-trifluoroethoxy)pentan-3-amine

N-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 82711217) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID82711217
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC NameN-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCC(CC)NOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(4-2)11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyTXVIUPYUWWOWAF-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 82711217) is N-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)pentan-3-amine is CCC(CC)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is TXVIUPYUWWOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-6(4-2)11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)pentan-3-amine?
N-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 185.19 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 82711217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).