3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile

C11H17FN2 — CID 131020015

IUPAC3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(N[C@H]2CCC[C@H]2F)C1
InChIInChI=1S/C11H17FN2/c12-10-2-1-3-11(10)14-9-5-4-8(6-9)7-13/h8-11,14H,1-6H2/t8?,9?,10-,11+/m1/s1
InChIKeyFNXNOZREIJKTEL-LXKPXOPUSA-N
MW196.27 g/mol
LogP2.16
Rot. Bonds2

About 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile

3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile (PubChem CID 131020015) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile
PubChem CID131020015
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(N[C@H]2CCC[C@H]2F)C1
InChIInChI=1S/C11H17FN2/c12-10-2-1-3-11(10)14-9-5-4-8(6-9)7-13/h8-11,14H,1-6H2/t8?,9?,10-,11+/m1/s1
InChIKeyFNXNOZREIJKTEL-LXKPXOPUSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile (CID 131020015) is 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile is N#CC1CCC(N[C@H]2CCC[C@H]2F)C1.
What is the InChIKey of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is FNXNOZREIJKTEL-LXKPXOPUSA-N. The full InChI is InChI=1S/C11H17FN2/c12-10-2-1-3-11(10)14-9-5-4-8(6-9)7-13/h8-11,14H,1-6H2/t8?,9?,10-,11+/m1/s1.
What are the key properties of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile?
3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131020015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).