N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine

C13H25F4NO — CID 103475943

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
SMILESCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C13H25F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h11-12,18H,3-10H2,1-2H3
InChIKeyXAYTWXAAZFKBRV-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.85
Rot. Bonds12

About N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine (PubChem CID 103475943) has the molecular formula C13H25F4NO and a molecular weight of 287.34 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
PubChem CID103475943
Molecular FormulaC13H25F4NO
Molecular Weight287.34 g/mol
Exact Mass287.19
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
SMILESCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C13H25F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h11-12,18H,3-10H2,1-2H3
InChIKeyXAYTWXAAZFKBRV-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-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-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 104748998

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine (CID 103475943) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine is CCCCCC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine?
The InChIKey is XAYTWXAAZFKBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.85, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine is sourced from PubChem (CID 103475943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).