3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile

C9H15FN2 — CID 130804727

IUPAC3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(CF)NC1CCC(C#N)C1
InChIInChI=1S/C9H15FN2/c1-7(5-10)12-9-3-2-8(4-9)6-11/h7-9,12H,2-5H2,1H3
InChIKeyWCFKRRANIQTDBA-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.63
Rot. Bonds3

About 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile

3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 130804727) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID130804727
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(CF)NC1CCC(C#N)C1
InChIInChI=1S/C9H15FN2/c1-7(5-10)12-9-3-2-8(4-9)6-11/h7-9,12H,2-5H2,1H3
InChIKeyWCFKRRANIQTDBA-UHFFFAOYSA-N
XLogP1.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile (CID 130804727) is 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile is CC(CF)NC1CCC(C#N)C1.
What is the InChIKey of 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is WCFKRRANIQTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7(5-10)12-9-3-2-8(4-9)6-11/h7-9,12H,2-5H2,1H3.
What are the key properties of 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile?
3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 170.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130804727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).