cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

C7H9F6NO4 — CID 162300046

IUPACcyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7)
InChIKeyWITOJYBBWOWWGH-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.37
Rot. Bonds

About cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162300046) has the molecular formula C7H9F6NO4 and a molecular weight of 285.14 g/mol. Its IUPAC name is cyclopropanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namecyclopropanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID162300046
Molecular FormulaC7H9F6NO4
Molecular Weight285.14 g/mol
Exact Mass285.04
IUPAC Namecyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7)
InChIKeyWITOJYBBWOWWGH-UHFFFAOYSA-N
XLogP1.37
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
carbonic acid;cyclopropanamine
CID 70000861
4-(methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 175545583
(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
CID 169448459
(4-aminocyclohexyl) methanesulfonate;2,2,2-trifluoroacetic acid
CID 159364072
oxan-3-amine;2,2,2-trifluoroacetic acid
CID 78048070
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122687416
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (CID 162300046) is cyclopropanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is NC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WITOJYBBWOWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.2C2HF3O2/c4-3-1-2-3;2*3-2(4,5)1(6)7/h3H,1-2,4H2;2*(H,6,7).
What are the key properties of cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
cyclopropanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 285.14 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162300046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).