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

C15H29F4NO — CID 103475868

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
SMILESCCCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C15H29F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h13-14,20H,3-12H2,1-2H3
InChIKeySAMPJBZGHRCIEY-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.63
Rot. Bonds14

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

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine (PubChem CID 103475868) has the molecular formula C15H29F4NO and a molecular weight of 315.39 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
PubChem CID103475868
Molecular FormulaC15H29F4NO
Molecular Weight315.39 g/mol
Exact Mass315.22
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
SMILESCCCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C15H29F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h13-14,20H,3-12H2,1-2H3
InChIKeySAMPJBZGHRCIEY-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.63
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'}

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Related Compounds

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943
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
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
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)nonan-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine (CID 103475868) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine is CCCCCCCC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine?
The InChIKey is SAMPJBZGHRCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h13-14,20H,3-12H2,1-2H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine has a molecular weight of 315.39 g/mol, XLogP of 4.63, 14 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)nonan-2-amine is sourced from PubChem (CID 103475868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).