1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine

C11H22F3NO — CID 141198660

IUPAC1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(F)(CCC)C(F)(F)OCCC
InChIInChI=1S/C11H22F3NO/c1-4-7-10(12,15-8-5-2)11(13,14)16-9-6-3/h15H,4-9H2,1-3H3
InChIKeyBBDPXBFYXUXBDI-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.47
Rot. Bonds9

About 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine

1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine (PubChem CID 141198660) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
PubChem CID141198660
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(F)(CCC)C(F)(F)OCCC
InChIInChI=1S/C11H22F3NO/c1-4-7-10(12,15-8-5-2)11(13,14)16-9-6-3/h15H,4-9H2,1-3H3
InChIKeyBBDPXBFYXUXBDI-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2,2-trifluoroethyl)oxan-3-amine
CID 63363393
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
2-(4,4-difluoropentoxy)-N,2-dimethylpropan-1-amine
CID 91181200
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine
CID 118912802
5-(2-aminoethoxy)-3,3-difluoro-N-methylpentan-1-amine
CID 124200898
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
CID 138460818
N-(fluoromethyl)-2-pentoxyethanamine
CID 140226325
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
5-(2-aminoethoxy)-N-tert-butyl-3,3-difluoropentan-1-amine
CID 148359769
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 155183422

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine?
The IUPAC name of 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine (CID 141198660) is 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine?
The canonical SMILES for 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine is CCCNC(F)(CCC)C(F)(F)OCCC.
What is the InChIKey of 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine?
The InChIKey is BBDPXBFYXUXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-7-10(12,15-8-5-2)11(13,14)16-9-6-3/h15H,4-9H2,1-3H3.
What are the key properties of 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine?
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine is sourced from PubChem (CID 141198660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).