2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine

C7H12F3N — CID 167044293

IUPAC2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine
SMILESC=C(NCC(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)4-11-6(3)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUANMKNIWKLUIGU-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine

2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine (PubChem CID 167044293) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine
PubChem CID167044293
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine
SMILESC=C(NCC(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)4-11-6(3)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUANMKNIWKLUIGU-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986
4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
CID 142175087
N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 144327432
4,4,4-trifluoro-N-propylbut-1-en-2-amine
CID 144591695
N-(2,2-difluoroethyl)prop-1-en-2-amine
CID 146616968
3-methyl-N-(2,2,2-trifluoroethyl)but-1-en-2-amine
CID 154671759
N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
CID 155037031
ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 156846125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine (CID 167044293) is 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine is C=C(NCC(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine?
The InChIKey is UANMKNIWKLUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)4-11-6(3)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine?
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.31, 3 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-trifluoroprop-1-en-2-yl)propan-1-amine is sourced from PubChem (CID 167044293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).