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

C8H14F3N — CID 164984562

IUPAC(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5(2)6(3)12-7(4)8(9,10)11/h5-6,12H,4H2,1-3H3/t6-/m1/s1
InChIKeyXVDFRIJHRLFOGI-ZCFIWIBFSA-N
MW181.20 g/mol
LogP2.70
Rot. Bonds3

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

(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine (PubChem CID 164984562) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine
PubChem CID164984562
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5(2)6(3)12-7(4)8(9,10)11/h5-6,12H,4H2,1-3H3/t6-/m1/s1
InChIKeyXVDFRIJHRLFOGI-ZCFIWIBFSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
CID 58530456
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
2,3-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-pyridine
CID 135212646
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
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
1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
CID 163590280
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine
CID 167044293
3,3-difluoro-N-propan-2-ylprop-1-en-2-amine
CID 169967434
2,2-difluoro-N-prop-1-en-2-ylpropan-1-amine
CID 143280229

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine (CID 164984562) is (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine is C=C(N[C@H](C)C(C)C)C(F)(F)F.
What is the InChIKey of (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine?
The InChIKey is XVDFRIJHRLFOGI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5(2)6(3)12-7(4)8(9,10)11/h5-6,12H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine?
(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine is sourced from PubChem (CID 164984562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).