3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine

C10H12FN — CID 84717070

IUPAC3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFC1CCc2ccccc2NC1
InChIInChI=1S/C10H12FN/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4,9,12H,5-7H2
InChIKeyCRFHSYXRJBWYRA-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.38
Rot. Bonds

About 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine

3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 84717070) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID84717070
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFC1CCc2ccccc2NC1
InChIInChI=1S/C10H12FN/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4,9,12H,5-7H2
InChIKeyCRFHSYXRJBWYRA-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718220
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
3-(2,2-difluoroethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314400
3-phenylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314427
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314422
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
3-(3-bromo-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314408
3-cyclohexylsulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 106513084
3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314313
3-(3,4-difluorophenyl)sulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314455
3-(4-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314319

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 84717070) is 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine is FC1CCc2ccccc2NC1.
What is the InChIKey of 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is CRFHSYXRJBWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4,9,12H,5-7H2.
What are the key properties of 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 165.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 84717070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).