N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine

C9H8F13N — CID 15124834

IUPACN-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine
SMILESCCN(C)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-3-23(2)4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3
InChIKeyCMUMPVZAKIMLEQ-UHFFFAOYSA-N
MW377.14 g/mol
LogP4.63
Rot. Bonds4

About N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine

N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine (PubChem CID 15124834) has the molecular formula C9H8F13N and a molecular weight of 377.14 g/mol. Its IUPAC name is N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine
PubChem CID15124834
Molecular FormulaC9H8F13N
Molecular Weight377.14 g/mol
Exact Mass377.04
IUPAC NameN-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine
SMILESCCN(C)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-3-23(2)4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3
InChIKeyCMUMPVZAKIMLEQ-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine?
The IUPAC name of N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine (CID 15124834) is N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine?
The canonical SMILES for N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine is CCN(C)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine?
The InChIKey is CMUMPVZAKIMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13N/c1-3-23(2)4(7(14,15)16,8(17,18)19)5(10,11)6(12,13)9(20,21)22/h3H2,1-2H3.
What are the key properties of N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine?
N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine has a molecular weight of 377.14 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1,3,3,4,4,5,5,5-decafluoro-N-methyl-2-(trifluoromethyl)pentan-2-amine is sourced from PubChem (CID 15124834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).