5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine

C11H20F5NO — CID 103725355

IUPAC5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO/c1-3-6-17-9(2)5-4-7-18-8-10(12,13)11(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyFQEMBZIHHGXHAE-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.37
Rot. Bonds9

About 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine

5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine (PubChem CID 103725355) has the molecular formula C11H20F5NO and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
PubChem CID103725355
Molecular FormulaC11H20F5NO
Molecular Weight277.28 g/mol
Exact Mass277.15
IUPAC Name5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO/c1-3-6-17-9(2)5-4-7-18-8-10(12,13)11(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyFQEMBZIHHGXHAE-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.37
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-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
CID 106665349
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-propylnonan-2-amine
CID 43129664
2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
CID 106810644
N-(2-octoxyethyl)pentan-2-amine
CID 55196861

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine (CID 103725355) is 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine is CCCNC(C)CCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine?
The InChIKey is FQEMBZIHHGXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5NO/c1-3-6-17-9(2)5-4-7-18-8-10(12,13)11(14,15)16/h9,17H,3-8H2,1-2H3.
What are the key properties of 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine?
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine has a molecular weight of 277.28 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine is sourced from PubChem (CID 103725355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).