(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile

C16H13FN2O2S — CID 95150517

IUPAC(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
SMILESN#C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-5-6-15(22-14)16(20)19-7-8-21-13(9-18)10-19/h1-6,13H,7-8,10H2/t13-/m0/s1
InChIKeyHTZVZBKEMQZQMO-ZDUSSCGKSA-N
MW316.36 g/mol
LogP2.92
Rot. Bonds2

About (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile

(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile (PubChem CID 95150517) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
PubChem CID95150517
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
SMILESN#C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-5-6-15(22-14)16(20)19-7-8-21-13(9-18)10-19/h1-6,13H,7-8,10H2/t13-/m0/s1
InChIKeyHTZVZBKEMQZQMO-ZDUSSCGKSA-N
XLogP2.92
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 78945682
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
CID 79965069
4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile (CID 95150517) is (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile is N#C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1.
What is the InChIKey of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile?
The InChIKey is HTZVZBKEMQZQMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-5-6-15(22-14)16(20)19-7-8-21-13(9-18)10-19/h1-6,13H,7-8,10H2/t13-/m0/s1.
What are the key properties of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile?
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 95150517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).