N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine

C10H20F3NO — CID 115518943

IUPACN-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine
SMILESCCOCCCNCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-15-9-5-8-14-7-4-3-6-10(11,12)13/h14H,2-9H2,1H3
InChIKeyUXVIQNXBEQEGRU-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.74
Rot. Bonds9

About N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine

N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 115518943) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine
PubChem CID115518943
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine
SMILESCCOCCCNCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-15-9-5-8-14-7-4-3-6-10(11,12)13/h14H,2-9H2,1H3
InChIKeyUXVIQNXBEQEGRU-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Difluoropropoxy)piperidine
CID 66696136
N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-(1-ethoxy-2,2,2-trifluoroethyl)pentan-1-amine
CID 87091770
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
3,3-Difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 89831042
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 89840445
3,3-Difluoro-4-propan-2-yloxypiperidine
CID 118551902

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine (CID 115518943) is N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine is CCOCCCNCCCCC(F)(F)F.
What is the InChIKey of N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is UXVIQNXBEQEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-2-15-9-5-8-14-7-4-3-6-10(11,12)13/h14H,2-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine?
N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115518943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).