2-cyclopentyl-3-fluoropropanenitrile

C8H12FN — CID 105428238

IUPAC2-cyclopentyl-3-fluoropropanenitrile
SMILESN#CC(CF)C1CCCC1
InChIInChI=1S/C8H12FN/c9-5-8(6-10)7-3-1-2-4-7/h7-8H,1-5H2
InChIKeyLFIKIXKXCBOFAT-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.29
Rot. Bonds2

About 2-cyclopentyl-3-fluoropropanenitrile

2-cyclopentyl-3-fluoropropanenitrile (PubChem CID 105428238) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-cyclopentyl-3-fluoropropanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-3-fluoropropanenitrile
PubChem CID105428238
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-cyclopentyl-3-fluoropropanenitrile
SMILESN#CC(CF)C1CCCC1
InChIInChI=1S/C8H12FN/c9-5-8(6-10)7-3-1-2-4-7/h7-8H,1-5H2
InChIKeyLFIKIXKXCBOFAT-UHFFFAOYSA-N
XLogP2.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-fluoropropanenitrile?
The IUPAC name of 2-cyclopentyl-3-fluoropropanenitrile (CID 105428238) is 2-cyclopentyl-3-fluoropropanenitrile.
What is the SMILES notation for 2-cyclopentyl-3-fluoropropanenitrile?
The canonical SMILES for 2-cyclopentyl-3-fluoropropanenitrile is N#CC(CF)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-fluoropropanenitrile?
The InChIKey is LFIKIXKXCBOFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c9-5-8(6-10)7-3-1-2-4-7/h7-8H,1-5H2.
What are the key properties of 2-cyclopentyl-3-fluoropropanenitrile?
2-cyclopentyl-3-fluoropropanenitrile has a molecular weight of 141.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-fluoropropanenitrile is sourced from PubChem (CID 105428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).