2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

C16H21ClF2N2O — CID 120907405

IUPAC2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C16H21ClF2N2O/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16/h1-2,9,15,20H,3-8,10-11H2
InChIKeyCVNWKEJCMCDHDD-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.52
Rot. Bonds4

About 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120907405) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120907405
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C16H21ClF2N2O/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16/h1-2,9,15,20H,3-8,10-11H2
InChIKeyCVNWKEJCMCDHDD-UHFFFAOYSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906855
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908237
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908185

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 120907405) is 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is FC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Cl.
What is the InChIKey of 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is CVNWKEJCMCDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N2O/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16/h1-2,9,15,20H,3-8,10-11H2.
What are the key properties of 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 330.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).