1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile

C9H13F3N2 — CID 64555222

IUPAC1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-6H2
InChIKeyVBCVOUSWQQDSAE-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.17
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile

1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile (PubChem CID 64555222) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile
PubChem CID64555222
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-6H2
InChIKeyVBCVOUSWQQDSAE-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile (CID 64555222) is 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile is N#CC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile?
The InChIKey is VBCVOUSWQQDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile?
1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 64555222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).