N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine

C7H12F3N — CID 592255

IUPACN,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine
SMILESC=C(N(CC)CC)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-11(5-2)6(3)7(8,9)10/h3-5H2,1-2H3
InChIKeyBBNAOSAFJVWBGC-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds3

About N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine

N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine (PubChem CID 592255) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine
PubChem CID592255
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine
SMILESC=C(N(CC)CC)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-11(5-2)6(3)7(8,9)10/h3-5H2,1-2H3
InChIKeyBBNAOSAFJVWBGC-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine?
The IUPAC name of N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine (CID 592255) is N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine is C=C(N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine?
The InChIKey is BBNAOSAFJVWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-11(5-2)6(3)7(8,9)10/h3-5H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine?
N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,3-trifluoroprop-1-en-2-amine is sourced from PubChem (CID 592255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).