N-ethoxy-3,3,3-trifluoropropan-1-amine

C5H10F3NO — CID 64974191

IUPACN-ethoxy-3,3,3-trifluoropropan-1-amine
SMILESCCONCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-9-4-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyPUBDILJTPUMNDK-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.48
Rot. Bonds4

About N-ethoxy-3,3,3-trifluoropropan-1-amine

N-ethoxy-3,3,3-trifluoropropan-1-amine (PubChem CID 64974191) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N-ethoxy-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-3,3,3-trifluoropropan-1-amine
PubChem CID64974191
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN-ethoxy-3,3,3-trifluoropropan-1-amine
SMILESCCONCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-9-4-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyPUBDILJTPUMNDK-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxypropan-1-amine
CID 18936580
N-propoxypropan-1-amine
CID 20470531
N-propoxyethanamine
CID 53968086
3-(Ethylaminooxy)-2-fluoropropan-1-amine
CID 21652978
N-(2,2,2-trifluoroethoxy)ethanamine
CID 57680059
N-ethoxy-2,2,2-trifluoroethanamine
CID 60744176
3,3,3-trifluoro-N-methoxypropan-1-amine
CID 64973781
N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710871
N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82712214
N-(3-fluoropropoxy)ethanamine
CID 89303756
N-(4,4,4-trifluorobutoxy)ethanamine
CID 118335918
2,2,2-trifluoro-N-propan-2-yloxyethanamine
CID 127012339

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-ethoxy-3,3,3-trifluoropropan-1-amine (CID 64974191) is N-ethoxy-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-ethoxy-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-ethoxy-3,3,3-trifluoropropan-1-amine is CCONCCC(F)(F)F.
What is the InChIKey of N-ethoxy-3,3,3-trifluoropropan-1-amine?
The InChIKey is PUBDILJTPUMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-10-9-4-3-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-ethoxy-3,3,3-trifluoropropan-1-amine?
N-ethoxy-3,3,3-trifluoropropan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 64974191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).