3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine

C9H16F3N — CID 586561

IUPAC3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
SMILESC=C(N(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13(7(3)4)8(5)9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyLWHRYFZHXWCGPG-UHFFFAOYSA-N
MW195.23 g/mol
LogP3.18
Rot. Bonds3

About 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine

3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine (PubChem CID 586561) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
PubChem CID586561
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
SMILESC=C(N(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13(7(3)4)8(5)9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyLWHRYFZHXWCGPG-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine (CID 586561) is 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine is C=C(N(C(C)C)C(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The InChIKey is LWHRYFZHXWCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)13(7(3)4)8(5)9(10,11)12/h6-7H,5H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine has a molecular weight of 195.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 586561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).