4,4,4-trifluoro-N-propylbut-1-en-2-amine

C7H12F3N — CID 144591695

IUPAC4,4,4-trifluoro-N-propylbut-1-en-2-amine
SMILESC=C(CC(F)(F)F)NCCC
InChIInChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyUGVOBHRJZFRGAP-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.45
Rot. Bonds4

About 4,4,4-trifluoro-N-propylbut-1-en-2-amine

4,4,4-trifluoro-N-propylbut-1-en-2-amine (PubChem CID 144591695) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propylbut-1-en-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propylbut-1-en-2-amine
PubChem CID144591695
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4,4,4-trifluoro-N-propylbut-1-en-2-amine
SMILESC=C(CC(F)(F)F)NCCC
InChIInChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyUGVOBHRJZFRGAP-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propylbut-1-en-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-propylbut-1-en-2-amine (CID 144591695) is 4,4,4-trifluoro-N-propylbut-1-en-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propylbut-1-en-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propylbut-1-en-2-amine is C=C(CC(F)(F)F)NCCC.
What is the InChIKey of 4,4,4-trifluoro-N-propylbut-1-en-2-amine?
The InChIKey is UGVOBHRJZFRGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propylbut-1-en-2-amine?
4,4,4-trifluoro-N-propylbut-1-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propylbut-1-en-2-amine is sourced from PubChem (CID 144591695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).