4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine

C11H11F2N — CID 91135397

IUPAC4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine
SMILESC=C1c2ccccc2NCCC1(F)F
InChIInChI=1S/C11H11F2N/c1-8-9-4-2-3-5-10(9)14-7-6-11(8,12)13/h2-5,14H,1,6-7H2
InChIKeyLLPIQSMFQPNJMI-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.15
Rot. Bonds

About 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine

4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine (PubChem CID 91135397) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine.

Molecular Properties

Compound Name4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine
PubChem CID91135397
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine
SMILESC=C1c2ccccc2NCCC1(F)F
InChIInChI=1S/C11H11F2N/c1-8-9-4-2-3-5-10(9)14-7-6-11(8,12)13/h2-5,14H,1,6-7H2
InChIKeyLLPIQSMFQPNJMI-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine?
The IUPAC name of 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine (CID 91135397) is 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine.
What is the SMILES notation for 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine?
The canonical SMILES for 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine is C=C1c2ccccc2NCCC1(F)F.
What is the InChIKey of 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine?
The InChIKey is LLPIQSMFQPNJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-8-9-4-2-3-5-10(9)14-7-6-11(8,12)13/h2-5,14H,1,6-7H2.
What are the key properties of 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine?
4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine has a molecular weight of 195.21 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine is sourced from PubChem (CID 91135397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).