(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile

C7H7FN2S — CID 131076412

IUPAC(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1ccsc1F
InChIInChI=1S/C7H7FN2S/c8-7-5(2-4-11-7)6(10)1-3-9/h2,4,6H,1,10H2/t6-/m1/s1
InChIKeyKKHNDSFYXSJCTF-ZCFIWIBFSA-N
MW170.21 g/mol
LogP1.80
Rot. Bonds2

About (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile

(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile (PubChem CID 131076412) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile
PubChem CID131076412
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1ccsc1F
InChIInChI=1S/C7H7FN2S/c8-7-5(2-4-11-7)6(10)1-3-9/h2,4,6H,1,10H2/t6-/m1/s1
InChIKeyKKHNDSFYXSJCTF-ZCFIWIBFSA-N
XLogP1.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile (CID 131076412) is (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile is N#CC[C@@H](N)c1ccsc1F.
What is the InChIKey of (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile?
The InChIKey is KKHNDSFYXSJCTF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7FN2S/c8-7-5(2-4-11-7)6(10)1-3-9/h2,4,6H,1,10H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile?
(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile has a molecular weight of 170.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile is sourced from PubChem (CID 131076412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).