7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

C16H15F2N — CID 143044152

IUPAC7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFc1ccc(F)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C16H15F2N/c17-14-3-4-16(18)15(10-14)13-2-1-11-5-7-19-8-6-12(11)9-13/h1-4,9-10,19H,5-8H2
InChIKeyBPYCOJACPKBDNQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.32
Rot. Bonds1

About 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 143044152) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID143044152
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFc1ccc(F)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C16H15F2N/c17-14-3-4-16(18)15(10-14)13-2-1-11-5-7-19-8-6-12(11)9-13/h1-4,9-10,19H,5-8H2
InChIKeyBPYCOJACPKBDNQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116698446
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CID 141092237
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
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N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59294849
4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride
CID 66692482
5-(2,5-difluorophenyl)-1H-pyridin-2-one
CID 53217701
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
1,4-difluoro-2-(3-iodophenyl)benzene
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CID 54342765

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 143044152) is 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine is Fc1ccc(F)c(-c2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is BPYCOJACPKBDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-3-4-16(18)15(10-14)13-2-1-11-5-7-19-8-6-12(11)9-13/h1-4,9-10,19H,5-8H2.
What are the key properties of 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 259.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 143044152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).