9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine

C14H17F2N — CID 156752585

IUPAC9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine
SMILESCC1=c2cccc(C(C)(F)F)c2=NCC(C)C1
InChIInChI=1S/C14H17F2N/c1-9-7-10(2)11-5-4-6-12(14(3,15)16)13(11)17-8-9/h4-6,9H,7-8H2,1-3H3
InChIKeyGPCKPCCFWSYFEI-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.63
Rot. Bonds1

About 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine

9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine (PubChem CID 156752585) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine.

Molecular Properties

Compound Name9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine
PubChem CID156752585
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine
SMILESCC1=c2cccc(C(C)(F)F)c2=NCC(C)C1
InChIInChI=1S/C14H17F2N/c1-9-7-10(2)11-5-4-6-12(14(3,15)16)13(11)17-8-9/h4-6,9H,7-8H2,1-3H3
InChIKeyGPCKPCCFWSYFEI-UHFFFAOYSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine;molecular hydrogen
CID 156752584
(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 156851943
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
N-[2-(trifluoromethyl)butyl]benzo[7]annulen-1-imine
CID 151305522
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 173058276
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
CID 123712763
ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
CID 142610618
3-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydro-2H-pyrrole
CID 143124578
4-propyl-3,4-dihydro-2H-1-benzazepine
CID 156479988
6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine
CID 170278859

Frequently Asked Questions

What is the IUPAC name of 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine?
The IUPAC name of 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine (CID 156752585) is 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine.
What is the SMILES notation for 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine?
The canonical SMILES for 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine is CC1=c2cccc(C(C)(F)F)c2=NCC(C)C1.
What is the InChIKey of 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine?
The InChIKey is GPCKPCCFWSYFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-9-7-10(2)11-5-4-6-12(14(3,15)16)13(11)17-8-9/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine?
9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine has a molecular weight of 237.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine is sourced from PubChem (CID 156752585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).