2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine

C7H12F3N — CID 63226286

IUPAC2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine
SMILESC=C(C)CNCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(2)5-11-4-3-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyKFPILWZCVMMAGI-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine

2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine (PubChem CID 63226286) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine
PubChem CID63226286
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine
SMILESC=C(C)CNCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(2)5-11-4-3-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyKFPILWZCVMMAGI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine (CID 63226286) is 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine is C=C(C)CNCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine?
The InChIKey is KFPILWZCVMMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(2)5-11-4-3-7(8,9)10/h11H,1,3-5H2,2H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine?
2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine is sourced from PubChem (CID 63226286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).