azepane;2,4-difluorobenzaldehyde;ethane

C15H23F2NO — CID 143845401

IUPACazepane;2,4-difluorobenzaldehyde;ethane
SMILESC1CCCNCC1.CC.O=Cc1ccc(F)cc1F
InChIInChI=1S/C7H4F2O.C6H13N.C2H6/c8-6-2-1-5(4-10)7(9)3-6;1-2-4-6-7-5-3-1;1-2/h1-4H;7H,1-6H2;1-2H3
InChIKeyGYCPITNFSNXMBJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.95
Rot. Bonds1

About azepane;2,4-difluorobenzaldehyde;ethane

azepane;2,4-difluorobenzaldehyde;ethane (PubChem CID 143845401) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is azepane;2,4-difluorobenzaldehyde;ethane.

Molecular Properties

Compound Nameazepane;2,4-difluorobenzaldehyde;ethane
PubChem CID143845401
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Nameazepane;2,4-difluorobenzaldehyde;ethane
SMILESC1CCCNCC1.CC.O=Cc1ccc(F)cc1F
InChIInChI=1S/C7H4F2O.C6H13N.C2H6/c8-6-2-1-5(4-10)7(9)3-6;1-2-4-6-7-5-3-1;1-2/h1-4H;7H,1-6H2;1-2H3
InChIKeyGYCPITNFSNXMBJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Butyrophenone, 4'-fluoro-4-(isopropylamino)-, hydrochloride
CID 43117
4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
CID 43129
2-(Ethylamino)-1-(4-fluorophenyl)ethan-1-one
CID 15982678
1-(4-Fluorophenyl)-2-(propylamino)ethanone
CID 68113733
1-(4-Fluorophenyl)-3-(methylamino)propan-1-one
CID 9855650
3-(Butylamino)-1-(4-fluorophenyl)propan-1-one
CID 9991169
1-(4-Fluorophenyl)-3-(hexylamino)propan-1-one
CID 9992364
1-(4-Fluorophenyl)-3-(octylamino)propan-1-one
CID 10265629
3-(Decylamino)-1-(4-fluorophenyl)propan-1-one
CID 10267229
1-(4-Fluorophenyl)-3-(octadecylamino)propan-1-one
CID 10342044
3-(Butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1-(4-Fluorophenyl)-3-(hexadecylamino)propan-1-one
CID 10385810

Frequently Asked Questions

What is the IUPAC name of azepane;2,4-difluorobenzaldehyde;ethane?
The IUPAC name of azepane;2,4-difluorobenzaldehyde;ethane (CID 143845401) is azepane;2,4-difluorobenzaldehyde;ethane.
What is the SMILES notation for azepane;2,4-difluorobenzaldehyde;ethane?
The canonical SMILES for azepane;2,4-difluorobenzaldehyde;ethane is C1CCCNCC1.CC.O=Cc1ccc(F)cc1F.
What is the InChIKey of azepane;2,4-difluorobenzaldehyde;ethane?
The InChIKey is GYCPITNFSNXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O.C6H13N.C2H6/c8-6-2-1-5(4-10)7(9)3-6;1-2-4-6-7-5-3-1;1-2/h1-4H;7H,1-6H2;1-2H3.
What are the key properties of azepane;2,4-difluorobenzaldehyde;ethane?
azepane;2,4-difluorobenzaldehyde;ethane has a molecular weight of 271.35 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;2,4-difluorobenzaldehyde;ethane is sourced from PubChem (CID 143845401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).