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

C10H17FN2 — CID 130679778

IUPAC3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile
SMILESCC(C#N)C(C)N[C@H]1CCC[C@H]1F
InChIInChI=1S/C10H17FN2/c1-7(6-12)8(2)13-10-5-3-4-9(10)11/h7-10,13H,3-5H2,1-2H3/t7?,8?,9-,10+/m1/s1
InChIKeyXCCMVJIXHJYBJT-BMNUFHGDSA-N
MW184.26 g/mol
LogP2.01
Rot. Bonds3

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

3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile (PubChem CID 130679778) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile.

Molecular Properties

Compound Name3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile
PubChem CID130679778
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile
SMILESCC(C#N)C(C)N[C@H]1CCC[C@H]1F
InChIInChI=1S/C10H17FN2/c1-7(6-12)8(2)13-10-5-3-4-9(10)11/h7-10,13H,3-5H2,1-2H3/t7?,8?,9-,10+/m1/s1
InChIKeyXCCMVJIXHJYBJT-BMNUFHGDSA-N
XLogP2.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.01
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]-2-methylbutanenitrile?
The IUPAC name of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile (CID 130679778) is 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile.
What is the SMILES notation for 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile?
The canonical SMILES for 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile is CC(C#N)C(C)N[C@H]1CCC[C@H]1F.
What is the InChIKey of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile?
The InChIKey is XCCMVJIXHJYBJT-BMNUFHGDSA-N. The full InChI is InChI=1S/C10H17FN2/c1-7(6-12)8(2)13-10-5-3-4-9(10)11/h7-10,13H,3-5H2,1-2H3/t7?,8?,9-,10+/m1/s1.
What are the key properties of 3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile?
3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile has a molecular weight of 184.26 g/mol, XLogP of 2.01, 3 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]-2-methylbutanenitrile is sourced from PubChem (CID 130679778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).