(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

C16H15FN2O — CID 762846

IUPAC(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(CCCC2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8,15H,1-4,19H2/t15-/m1/s1
InChIKeyLTMJZYFDMIUYAI-OAHLLOKOSA-N
MW270.31 g/mol
LogP3.46
Rot. Bonds1

About (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (PubChem CID 762846) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
PubChem CID762846
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(CCCC2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8,15H,1-4,19H2/t15-/m1/s1
InChIKeyLTMJZYFDMIUYAI-OAHLLOKOSA-N
XLogP3.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3441737
(4S)-2-amino-4-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 903650
(4S)-2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 792484
(8Z)-2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]-8-[(4-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 56960367
2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2838990
(4R)-2-amino-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 696021
(4R)-2-amino-4-[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 126138997
(4R,8E)-2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 1041850
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 616306
(5S)-7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 684501
(8Z)-2-amino-6-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 56960506
(4S)-2-amino-4-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 51688499

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CID 762846) is (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is N#CC1=C(N)OC2=C(CCCC2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The InChIKey is LTMJZYFDMIUYAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8,15H,1-4,19H2/t15-/m1/s1.
What are the key properties of (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 762846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).