2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile

C10H16FN — CID 15459077

IUPAC2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
SMILESCC1(F)CCC(CC#N)C1(C)C
InChIInChI=1S/C10H16FN/c1-9(2)8(5-7-12)4-6-10(9,3)11/h8H,4-6H2,1-3H3
InChIKeyCATUPWMLZRLIHS-UHFFFAOYSA-N
MW169.24 g/mol
LogP3.06
Rot. Bonds1

About 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile

2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile (PubChem CID 15459077) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
PubChem CID15459077
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
SMILESCC1(F)CCC(CC#N)C1(C)C
InChIInChI=1S/C10H16FN/c1-9(2)8(5-7-12)4-6-10(9,3)11/h8H,4-6H2,1-3H3
InChIKeyCATUPWMLZRLIHS-UHFFFAOYSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile (CID 15459077) is 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile is CC1(F)CCC(CC#N)C1(C)C.
What is the InChIKey of 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile?
The InChIKey is CATUPWMLZRLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(2)8(5-7-12)4-6-10(9,3)11/h8H,4-6H2,1-3H3.
What are the key properties of 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile?
2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile has a molecular weight of 169.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,2,3-trimethylcyclopentyl)acetonitrile is sourced from PubChem (CID 15459077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).