1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid

C6H8F3NO2 — CID 115016357

IUPAC1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
SMILESNC(C(F)(F)F)C1(C(=O)O)CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3(10)5(1-2-5)4(11)12/h3H,1-2,10H2,(H,11,12)
InChIKeyBWXVNBSDEFOZQP-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.74
Rot. Bonds2

About 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid

1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 115016357) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID115016357
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
SMILESNC(C(F)(F)F)C1(C(=O)O)CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3(10)5(1-2-5)4(11)12/h3H,1-2,10H2,(H,11,12)
InChIKeyBWXVNBSDEFOZQP-UHFFFAOYSA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid (CID 115016357) is 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid is NC(C(F)(F)F)C1(C(=O)O)CC1.
What is the InChIKey of 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is BWXVNBSDEFOZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3(10)5(1-2-5)4(11)12/h3H,1-2,10H2,(H,11,12).
What are the key properties of 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).