2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile

C9H13F3N2 — CID 63226379

IUPAC2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c10-9(11,12)4-5-14-8-3-1-2-7(8)6-13/h7-8,14H,1-5H2
InChIKeyOYKFOGRXNMGLJS-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.22
Rot. Bonds3

About 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile

2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile (PubChem CID 63226379) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile
PubChem CID63226379
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c10-9(11,12)4-5-14-8-3-1-2-7(8)6-13/h7-8,14H,1-5H2
InChIKeyOYKFOGRXNMGLJS-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile (CID 63226379) is 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile?
The InChIKey is OYKFOGRXNMGLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)4-5-14-8-3-1-2-7(8)6-13/h7-8,14H,1-5H2.
What are the key properties of 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile?
2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 63226379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).