2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile

C10H15F3N2 — CID 62742042

IUPAC2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCC(F)(F)F
InChIInChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9,15H,1-5,7H2
InChIKeyIOGQUALNGKZLGH-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.61
Rot. Bonds2

About 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile

2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile (PubChem CID 62742042) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
PubChem CID62742042
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCC(F)(F)F
InChIInChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9,15H,1-5,7H2
InChIKeyIOGQUALNGKZLGH-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile (CID 62742042) is 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The InChIKey is IOGQUALNGKZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9,15H,1-5,7H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 62742042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).