2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid

C13H20F3NO2 — CID 63068814

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)8-17(9-6-7-9)11-5-3-1-2-4-10(11)12(18)19/h9-11H,1-8H2,(H,18,19)
InChIKeyFSVSCICYHJOAEW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 63068814) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
PubChem CID63068814
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)8-17(9-6-7-9)11-5-3-1-2-4-10(11)12(18)19/h9-11H,1-8H2,(H,18,19)
InChIKeyFSVSCICYHJOAEW-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid (CID 63068814) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is FSVSCICYHJOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)8-17(9-6-7-9)11-5-3-1-2-4-10(11)12(18)19/h9-11H,1-8H2,(H,18,19).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63068814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).