N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine

C15H29F4NO — CID 103475837

IUPACN,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C15H29F4NO/c1-4-7-8-12(5-2)9-13(20-6-3)10-21-11-15(18,19)14(16)17/h12-14,20H,4-11H2,1-3H3
InChIKeyWIUXTRXKVXXYPQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.49
Rot. Bonds13

About N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine

N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine (PubChem CID 103475837) has the molecular formula C15H29F4NO and a molecular weight of 315.40 g/mol. Its IUPAC name is N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine
PubChem CID103475837
Molecular FormulaC15H29F4NO
Molecular Weight315.40 g/mol
Exact Mass315.22
IUPAC NameN,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C15H29F4NO/c1-4-7-8-12(5-2)9-13(20-6-3)10-21-11-15(18,19)14(16)17/h12-14,20H,4-11H2,1-3H3
InChIKeyWIUXTRXKVXXYPQ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine?
The IUPAC name of N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine (CID 103475837) is N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine.
What is the SMILES notation for N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine?
The canonical SMILES for N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine is CCCCC(CC)CC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine?
The InChIKey is WIUXTRXKVXXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F4NO/c1-4-7-8-12(5-2)9-13(20-6-3)10-21-11-15(18,19)14(16)17/h12-14,20H,4-11H2,1-3H3.
What are the key properties of N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine?
N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine has a molecular weight of 315.40 g/mol, XLogP of 4.49, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(2,2,3,3-tetrafluoropropoxy)octan-2-amine is sourced from PubChem (CID 103475837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).