trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine

C4H6F3N — CID 28901541

IUPACtrans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2/t2-,3-/m0/s1
InChIKeyUDWSAEWNKJDWHU-HRFVKAFMSA-N
MW125.09 g/mol
LogP0.90
Rot. Bonds

About trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine

trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 28901541) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
PubChem CID28901541
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Nametrans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2/t2-,3-/m0/s1
InChIKeyUDWSAEWNKJDWHU-HRFVKAFMSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine (CID 28901541) is trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine is N[C@H]1C[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is UDWSAEWNKJDWHU-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2/t2-,3-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine?
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 125.09 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 28901541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).