N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine

C7H14F3N — CID 131213511

IUPACN-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
SMILESCCN(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-11(3)5-6(2)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyCWVFLLGAAJJIHK-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.14
Rot. Bonds3

About N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine

N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine (PubChem CID 131213511) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
PubChem CID131213511
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC NameN-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
SMILESCCN(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-11(3)5-6(2)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyCWVFLLGAAJJIHK-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine (CID 131213511) is N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine is CCN(C)CC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The InChIKey is CWVFLLGAAJJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-4-11(3)5-6(2)7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 131213511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).