(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile

C16H18FN3 — CID 97011968

IUPAC(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1CC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3/c17-16-5-3-14(4-6-16)15-7-9-20(12-15)11-13(10-19)2-1-8-18/h3-6,13,15H,1-2,7,9,11-12H2/t13-,15-/m0/s1
InChIKeyRTPQQKJXIDEDFK-ZFWWWQNUSA-N
MW271.34 g/mol
LogP3.06
Rot. Bonds5

About (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile

(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile (PubChem CID 97011968) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
PubChem CID97011968
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1CC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3/c17-16-5-3-14(4-6-16)15-7-9-20(12-15)11-13(10-19)2-1-8-18/h3-6,13,15H,1-2,7,9,11-12H2/t13-,15-/m0/s1
InChIKeyRTPQQKJXIDEDFK-ZFWWWQNUSA-N
XLogP3.06
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile (CID 97011968) is (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile is N#CCC[C@@H](C#N)CN1CC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile?
The InChIKey is RTPQQKJXIDEDFK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H18FN3/c17-16-5-3-14(4-6-16)15-7-9-20(12-15)11-13(10-19)2-1-8-18/h3-6,13,15H,1-2,7,9,11-12H2/t13-,15-/m0/s1.
What are the key properties of (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile?
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile has a molecular weight of 271.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 97011968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).