6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C13H16FNO — CID 21257087

IUPAC6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESNC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2
InChIKeyAUNWIYCRCJHCCF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.92
Rot. Bonds

About 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 21257087) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID21257087
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESNC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2
InChIKeyAUNWIYCRCJHCCF-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 21257087) is 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is NC1CC2(CCCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is AUNWIYCRCJHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2.
What are the key properties of 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 221.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 21257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).