3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine

C7H12F3N — CID 167040136

IUPAC3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11(4)6(3)7(8,9)10/h5H,3H2,1-2,4H3
InChIKeyDOVRBIYNHCINDU-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds2

About 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine

3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine (PubChem CID 167040136) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
PubChem CID167040136
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11(4)6(3)7(8,9)10/h5H,3H2,1-2,4H3
InChIKeyDOVRBIYNHCINDU-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine
CID 126704307
2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123414251
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
N,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 130225205
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
1-N'-methyl-1-N-(3-methylbuta-1,3-dien-2-yl)-1-N'-propan-2-ylethene-1,1-diamine
CID 167064858
3-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 110834695
N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 130757893
N,1,1-trifluoro-N-methyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 146426215

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine (CID 167040136) is 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine is C=C(N(C)C(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is DOVRBIYNHCINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)11(4)6(3)7(8,9)10/h5H,3H2,1-2,4H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine?
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.40, 2 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-methyl-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 167040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).