N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine

C10H20F3NO — CID 66275873

IUPACN-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCCNC(C)CCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-8(2)6-5-7-15-9(3)10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyPONXTWHDPXAWPC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine

N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (PubChem CID 66275873) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
PubChem CID66275873
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCCNC(C)CCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-8(2)6-5-7-15-9(3)10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyPONXTWHDPXAWPC-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (CID 66275873) is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The canonical SMILES for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine is CCNC(C)CCCOC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The InChIKey is PONXTWHDPXAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14-8(2)6-5-7-15-9(3)10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 66275873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).