3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine

C9H16F3N — CID 176847649

IUPAC3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3N/c1-4-6-13(8(2)3)7-5-9(10,11)12/h4,8H,1,5-7H2,2-3H3
InChIKeyAZXAKBNDZHZFBO-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.84
Rot. Bonds5

About 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine

3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine (PubChem CID 176847649) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine
PubChem CID176847649
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3N/c1-4-6-13(8(2)3)7-5-9(10,11)12/h4,8H,1,5-7H2,2-3H3
InChIKeyAZXAKBNDZHZFBO-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine (CID 176847649) is 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine is C=CCN(CCC(F)(F)F)C(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The InChIKey is AZXAKBNDZHZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-4-6-13(8(2)3)7-5-9(10,11)12/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
3,3,3-trifluoro-N-propan-2-yl-N-prop-2-enylpropan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.84, 5 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-propan-2-yl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 176847649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).