2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile

C9H13F3N2 — CID 65044706

IUPAC2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3
InChIKeyLLUIQBBSDYRVHA-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile

2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (PubChem CID 65044706) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
PubChem CID65044706
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3
InChIKeyLLUIQBBSDYRVHA-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (CID 65044706) is 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is CC1CCCC1(C#N)NCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The InChIKey is LLUIQBBSDYRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65044706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).