N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine

C8H16F3N — CID 135189767

IUPACN-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine
SMILESCCN(C)CCC(C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-12(3)6-5-7(2)8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyDKOZNCRUUZWVHL-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine

N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine (PubChem CID 135189767) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine
PubChem CID135189767
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine
SMILESCCN(C)CCC(C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-12(3)6-5-7(2)8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyDKOZNCRUUZWVHL-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine (CID 135189767) is N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine is CCN(C)CCC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The InChIKey is DKOZNCRUUZWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-4-12(3)6-5-7(2)8(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 135189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).