N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine

C11H21F4NO — CID 55077654

IUPACN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
SMILESCC(C)NCCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-9(2)16-6-4-3-5-7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3
InChIKeyMYNYRNMENKZOMR-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds10

About N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine

N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine (PubChem CID 55077654) has the molecular formula C11H21F4NO and a molecular weight of 259.29 g/mol. Its IUPAC name is N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
PubChem CID55077654
Molecular FormulaC11H21F4NO
Molecular Weight259.29 g/mol
Exact Mass259.16
IUPAC NameN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
SMILESCC(C)NCCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-9(2)16-6-4-3-5-7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3
InChIKeyMYNYRNMENKZOMR-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The IUPAC name of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine (CID 55077654) is N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine is CC(C)NCCCCCOCC(F)(F)C(F)F.
What is the InChIKey of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The InChIKey is MYNYRNMENKZOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO/c1-9(2)16-6-4-3-5-7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine is sourced from PubChem (CID 55077654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).