(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde

C14H15F2NO2 — CID 143514080

IUPAC(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde
SMILESN[C@]12CCCCC1(C=O)c1c(F)ccc(F)c1OC2
InChIInChI=1S/C14H15F2NO2/c15-9-3-4-10(16)12-11(9)13(7-18)5-1-2-6-14(13,17)8-19-12/h3-4,7H,1-2,5-6,8,17H2/t13?,14-/m0/s1
InChIKeyZUCZVCOCQMDHCL-KZUDCZAMSA-N
MW267.27 g/mol
LogP2.07
Rot. Bonds1

About (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde

(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde (PubChem CID 143514080) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde.

Molecular Properties

Compound Name(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde
PubChem CID143514080
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde
SMILESN[C@]12CCCCC1(C=O)c1c(F)ccc(F)c1OC2
InChIInChI=1S/C14H15F2NO2/c15-9-3-4-10(16)12-11(9)13(7-18)5-1-2-6-14(13,17)8-19-12/h3-4,7H,1-2,5-6,8,17H2/t13?,14-/m0/s1
InChIKeyZUCZVCOCQMDHCL-KZUDCZAMSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6aR,8R)-6a-amino-1,4-difluoro-8-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde;ethane;formaldehyde;1,4-xylene
CID 143514204
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol
CID 143514062
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide
CID 132919328
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
(6aS,10aR)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6a-(2-propan-2-ylsulfanylethoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromene
CID 54585575
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304

Frequently Asked Questions

What is the IUPAC name of (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde?
The IUPAC name of (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde (CID 143514080) is (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde.
What is the SMILES notation for (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde?
The canonical SMILES for (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde is N[C@]12CCCCC1(C=O)c1c(F)ccc(F)c1OC2.
What is the InChIKey of (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde?
The InChIKey is ZUCZVCOCQMDHCL-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-9-3-4-10(16)12-11(9)13(7-18)5-1-2-6-14(13,17)8-19-12/h3-4,7H,1-2,5-6,8,17H2/t13?,14-/m0/s1.
What are the key properties of (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde?
(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde has a molecular weight of 267.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde is sourced from PubChem (CID 143514080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).