3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile

C10H15F2N — CID 126974566

IUPAC3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CC1CCC(F)(F)C1
InChIInChI=1S/C10H15F2N/c1-9(2,7-13)5-8-3-4-10(11,12)6-8/h8H,3-6H2,1-2H3
InChIKeyJWKCTNVIMIGANC-UHFFFAOYSA-N
MW187.23 g/mol
LogP3.36
Rot. Bonds2

About 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile

3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile (PubChem CID 126974566) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile
PubChem CID126974566
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CC1CCC(F)(F)C1
InChIInChI=1S/C10H15F2N/c1-9(2,7-13)5-8-3-4-10(11,12)6-8/h8H,3-6H2,1-2H3
InChIKeyJWKCTNVIMIGANC-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile (CID 126974566) is 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile is CC(C)(C#N)CC1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile?
The InChIKey is JWKCTNVIMIGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-9(2,7-13)5-8-3-4-10(11,12)6-8/h8H,3-6H2,1-2H3.
What are the key properties of 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile?
3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile has a molecular weight of 187.23 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 126974566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).