9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine

C14H16FN — CID 102002918

IUPAC9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine
SMILESC=C1c2ccc(F)cc2CC2CCCCN12
InChIInChI=1S/C14H16FN/c1-10-14-6-5-12(15)8-11(14)9-13-4-2-3-7-16(10)13/h5-6,8,13H,1-4,7,9H2
InChIKeyFNGVSZBCDBOMOW-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.21
Rot. Bonds

About 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine

9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine (PubChem CID 102002918) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine.

Molecular Properties

Compound Name9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine
PubChem CID102002918
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine
SMILESC=C1c2ccc(F)cc2CC2CCCCN12
InChIInChI=1S/C14H16FN/c1-10-14-6-5-12(15)8-11(14)9-13-4-2-3-7-16(10)13/h5-6,8,13H,1-4,7,9H2
InChIKeyFNGVSZBCDBOMOW-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69056457
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CID 143722295
(17R)-21,23-difluoro-11-methylidene-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaene;S-(fluoromethyl)thiohydroxylamine
CID 169173979
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene
CID 154969838
1-[(9R,10S)-5-fluoro-1-azatricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-9-yl]ethanone
CID 102529250
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845
8-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
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CID 62709909
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
2-chloro-5-fluoro-2,3-dihydroinden-1-one
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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine?
The IUPAC name of 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine (CID 102002918) is 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine.
What is the SMILES notation for 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine?
The canonical SMILES for 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine is C=C1c2ccc(F)cc2CC2CCCCN12.
What is the InChIKey of 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine?
The InChIKey is FNGVSZBCDBOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-10-14-6-5-12(15)8-11(14)9-13-4-2-3-7-16(10)13/h5-6,8,13H,1-4,7,9H2.
What are the key properties of 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine?
9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine has a molecular weight of 217.29 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine is sourced from PubChem (CID 102002918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).