azocan-1-yl-(3,5-difluorophenyl)methanone

C14H17F2NO — CID 86976941

IUPACazocan-1-yl-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCCCCCC1
InChIInChI=1S/C14H17F2NO/c15-12-8-11(9-13(16)10-12)14(18)17-6-4-2-1-3-5-7-17/h8-10H,1-7H2
InChIKeyMJBDUKARQIQHOE-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.37
Rot. Bonds1

About azocan-1-yl-(3,5-difluorophenyl)methanone

azocan-1-yl-(3,5-difluorophenyl)methanone (PubChem CID 86976941) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is azocan-1-yl-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3,5-difluorophenyl)methanone
PubChem CID86976941
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Nameazocan-1-yl-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCCCCCC1
InChIInChI=1S/C14H17F2NO/c15-12-8-11(9-13(16)10-12)14(18)17-6-4-2-1-3-5-7-17/h8-10H,1-7H2
InChIKeyMJBDUKARQIQHOE-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
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azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
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(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 80666256
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 97010440
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3,5-difluorophenyl)methanone?
The IUPAC name of azocan-1-yl-(3,5-difluorophenyl)methanone (CID 86976941) is azocan-1-yl-(3,5-difluorophenyl)methanone.
What is the SMILES notation for azocan-1-yl-(3,5-difluorophenyl)methanone?
The canonical SMILES for azocan-1-yl-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3,5-difluorophenyl)methanone?
The InChIKey is MJBDUKARQIQHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-8-11(9-13(16)10-12)14(18)17-6-4-2-1-3-5-7-17/h8-10H,1-7H2.
What are the key properties of azocan-1-yl-(3,5-difluorophenyl)methanone?
azocan-1-yl-(3,5-difluorophenyl)methanone has a molecular weight of 253.29 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 86976941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).