11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane

C17H25FN2 — CID 64944299

IUPAC11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(F)cc1N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c1-14-6-7-15(18)12-16(14)20-11-5-10-19-17(13-20)8-3-2-4-9-17/h6-7,12,19H,2-5,8-11,13H2,1H3
InChIKeyVYTZCBKOGCVQQT-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.64
Rot. Bonds1

About 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane

11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64944299) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64944299
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(F)cc1N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c1-14-6-7-15(18)12-16(14)20-11-5-10-19-17(13-20)8-3-2-4-9-17/h6-7,12,19H,2-5,8-11,13H2,1H3
InChIKeyVYTZCBKOGCVQQT-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
CID 64951580
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 114349619
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
CID 107608134
10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107646279
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525

Frequently Asked Questions

What is the IUPAC name of 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane (CID 64944299) is 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane is Cc1ccc(F)cc1N1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is VYTZCBKOGCVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-14-6-7-15(18)12-16(14)20-11-5-10-19-17(13-20)8-3-2-4-9-17/h6-7,12,19H,2-5,8-11,13H2,1H3.
What are the key properties of 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane?
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 276.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64944299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).