6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine

C11H12FNS — CID 105463194

IUPAC6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCSc1ccc(F)cc12
InChIInChI=1S/C11H12FNS/c12-7-1-2-9-8(5-7)11(3-4-14-9)6-10(11)13/h1-2,5,10H,3-4,6,13H2
InChIKeyFOMYSIKCTFZSHK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.29
Rot. Bonds

About 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine

6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine (PubChem CID 105463194) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
PubChem CID105463194
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCSc1ccc(F)cc12
InChIInChI=1S/C11H12FNS/c12-7-1-2-9-8(5-7)11(3-4-14-9)6-10(11)13/h1-2,5,10H,3-4,6,13H2
InChIKeyFOMYSIKCTFZSHK-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
CID 105458273
6-fluorospiro[2,3-dihydro-1H-quinoline-4,2'-cyclopropane]-1'-amine
CID 105446089
(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methanamine
CID 105445172
7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43155199
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline
CID 178197536
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911983
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 15713056

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The IUPAC name of 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine (CID 105463194) is 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine is NC1CC12CCSc1ccc(F)cc12.
What is the InChIKey of 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The InChIKey is FOMYSIKCTFZSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c12-7-1-2-9-8(5-7)11(3-4-14-9)6-10(11)13/h1-2,5,10H,3-4,6,13H2.
What are the key properties of 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine has a molecular weight of 209.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 105463194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).