7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

C10H12FNS — CID 43155199

IUPAC7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
SMILESNC1CCCSc2ccc(F)cc21
InChIInChI=1S/C10H12FNS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9H,1-2,5,12H2
InChIKeyMTFRGSCVSZWEBZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.71
Rot. Bonds

About 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine (PubChem CID 43155199) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine.

Molecular Properties

Compound Name7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
PubChem CID43155199
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
SMILESNC1CCCSc2ccc(F)cc21
InChIInChI=1S/C10H12FNS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9H,1-2,5,12H2
InChIKeyMTFRGSCVSZWEBZ-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine with MolForge

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Related Compounds

(4S)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885338
(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885336
6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 15713056
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371952

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine?
The IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine (CID 43155199) is 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine.
What is the SMILES notation for 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine?
The canonical SMILES for 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine is NC1CCCSc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine?
The InChIKey is MTFRGSCVSZWEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9H,1-2,5,12H2.
What are the key properties of 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine?
7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine has a molecular weight of 197.28 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine is sourced from PubChem (CID 43155199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).