(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine

C5H8F3N — CID 163886842

IUPAC(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine
SMILESC=CN[C@@H](C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3/t4-/m0/s1
InChIKeyPYCBVRNNGFBVDA-BYPYZUCNSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds2

About (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine

(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine (PubChem CID 163886842) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine
PubChem CID163886842
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine
SMILESC=CN[C@@H](C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3/t4-/m0/s1
InChIKeyPYCBVRNNGFBVDA-BYPYZUCNSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23105259
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CID 87692914
(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 126738539
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
N-(1-fluoroethenyl)butan-2-amine
CID 142904363
(E)-N'-(2,2-difluoroethyl)ethene-1,2-diamine
CID 145229980
N-ethenyl-2-fluoropropan-2-amine
CID 146499802
N-ethenyl-2,2-difluorocyclopropan-1-amine
CID 146560910
(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine
CID 146560911
N-ethenyl-1,1,1-trifluoropropan-2-amine
CID 146650829
(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 154953422
(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine
CID 154953447

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine (CID 163886842) is (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine is C=CN[C@@H](C)C(F)(F)F.
What is the InChIKey of (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is PYCBVRNNGFBVDA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3/t4-/m0/s1.
What are the key properties of (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine?
(2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethenyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 163886842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).