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

C10H15F3N2 — CID 60998657

IUPAC1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h15H,1-6,8H2
InChIKeyPCLLHDWGYNQWOE-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.75
Rot. Bonds2

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

1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile (PubChem CID 60998657) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
PubChem CID60998657
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h15H,1-6,8H2
InChIKeyPCLLHDWGYNQWOE-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethylamino)cyclohexane-1-carbonitrile
CID 60997807
1-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 141205662
2-Methyl-2-(2,2,2-trifluoroethylamino)nonanenitrile
CID 54893195
2-Methyl-2-(2,2,2-trifluoroethylamino)octanenitrile
CID 60997462
2-Propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997930
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexanenitrile
CID 60998049
1-(2,2,2-Trifluoroethylamino)cyclopentane-1-carbonitrile
CID 60998902
1-(2,2,2-Trifluoroethylamino)cyclooctane-1-carbonitrile
CID 60998904
2-(2,2,2-Trifluoroethylamino)cycloheptane-1-carbonitrile
CID 62742042
2-(3,3,3-Trifluoropropylamino)cycloheptane-1-carbonitrile
CID 63226432
1-(2,2,2-Trifluoroethylamino)cyclododecane-1-carbonitrile
CID 63465459
2-Ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile
CID 63951450

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile (CID 60998657) is 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile is N#CC1(NCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
The InChIKey is PCLLHDWGYNQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h15H,1-6,8H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 60998657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).