N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide

C13H19FN2O2 — CID 89153823

IUPACN-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide
SMILESCC1CN(C2=CC[C@@H](NC=O)C=C2)C(F)C(C)O1
InChIInChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3,5-6,8-11,13H,4,7H2,1-2H3,(H,15,17)/t9?,10?,11-,13?/m0/s1
InChIKeyMRCZFLIIEPVHNC-FOBZMYGMSA-N
MW254.31 g/mol
LogP1.35
Rot. Bonds3

About N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide

N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide (PubChem CID 89153823) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide.

Molecular Properties

Compound NameN-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide
PubChem CID89153823
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide
SMILESCC1CN(C2=CC[C@@H](NC=O)C=C2)C(F)C(C)O1
InChIInChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3,5-6,8-11,13H,4,7H2,1-2H3,(H,15,17)/t9?,10?,11-,13?/m0/s1
InChIKeyMRCZFLIIEPVHNC-FOBZMYGMSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 70892573
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
CID 70892619
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
CID 71034450
N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide
CID 89073996
N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide
CID 89153928
N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide
CID 89154126
N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide
CID 89256522
1-[4-(3,5-difluorocyclohexa-1,5-dien-1-yl)-6-methylmorpholin-2-yl]-N-methylmethanamine
CID 91157344
N-[2-fluoro-6-(morpholin-4-ylmethyl)cycloocta-1,4,7-trien-1-yl]formamide
CID 173707034
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610
4-[(2R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974382

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide?
The IUPAC name of N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide (CID 89153823) is N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide.
What is the SMILES notation for N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide?
The canonical SMILES for N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide is CC1CN(C2=CC[C@@H](NC=O)C=C2)C(F)C(C)O1.
What is the InChIKey of N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide?
The InChIKey is MRCZFLIIEPVHNC-FOBZMYGMSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3,5-6,8-11,13H,4,7H2,1-2H3,(H,15,17)/t9?,10?,11-,13?/m0/s1.
What are the key properties of N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide?
N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide has a molecular weight of 254.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-yl]formamide is sourced from PubChem (CID 89153823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).