6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]

C12H14FN — CID 115018593

IUPAC6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
SMILESFc1cccc2c1CC1(CC1)NCC2
InChIInChI=1S/C12H14FN/c13-11-3-1-2-9-4-7-14-12(5-6-12)8-10(9)11/h1-3,14H,4-8H2
InChIKeyFFHSGGNBHOXBOM-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.05
Rot. Bonds

About 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]

6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] (PubChem CID 115018593) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane].

Molecular Properties

Compound Name6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
PubChem CID115018593
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
SMILESFc1cccc2c1CC1(CC1)NCC2
InChIInChI=1S/C12H14FN/c13-11-3-1-2-9-4-7-14-12(5-6-12)8-10(9)11/h1-3,14H,4-8H2
InChIKeyFFHSGGNBHOXBOM-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105481654
5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433676
(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84720150
spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
CID 115017855
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 115042448
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
CID 62354191
(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 99779575
5-fluoro-1,2,3,4-tetrahydronaphthalen-3-ide;bis(rubidium(1+))
CID 162732311
4-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717067

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]?
The IUPAC name of 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] (CID 115018593) is 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane].
What is the SMILES notation for 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]?
The canonical SMILES for 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] is Fc1cccc2c1CC1(CC1)NCC2.
What is the InChIKey of 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]?
The InChIKey is FFHSGGNBHOXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-3-1-2-9-4-7-14-12(5-6-12)8-10(9)11/h1-3,14H,4-8H2.
What are the key properties of 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]?
6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] has a molecular weight of 191.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane] is sourced from PubChem (CID 115018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).