3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C24H29F2NO — CID 152845963

IUPAC3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESFc1cc(F)cc(CCCC[C@@]2(c3cccnc3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C24H29F2NO/c25-21-14-19(15-22(26)16-21)6-1-2-8-23(20-7-5-12-27-17-20)11-13-28-24(18-23)9-3-4-10-24/h5,7,12,14-17H,1-4,6,8-11,13,18H2/t23-/m1/s1
InChIKeyTUAXJHNVRNJFFD-HSZRJFAPSA-N
MW385.50 g/mol
LogP6.13
Rot. Bonds6

About 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 152845963) has the molecular formula C24H29F2NO and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID152845963
Molecular FormulaC24H29F2NO
Molecular Weight385.50 g/mol
Exact Mass385.22
IUPAC Name3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESFc1cc(F)cc(CCCC[C@@]2(c3cccnc3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C24H29F2NO/c25-21-14-19(15-22(26)16-21)6-1-2-8-23(20-7-5-12-27-17-20)11-13-28-24(18-23)9-3-4-10-24/h5,7,12,14-17H,1-4,6,8-11,13,18H2/t23-/m1/s1
InChIKeyTUAXJHNVRNJFFD-HSZRJFAPSA-N
XLogP6.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(9R)-9-(3-methylphenyl)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decane
CID 148707004
3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 161027623
2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 148726514
3-chloro-2-methoxy-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 159040015
5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]-2-(trifluoromethyl)pyrimidine
CID 159111956
5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]-2,3-bis(trifluoromethyl)pyridine
CID 153177049
3-bromo-2-chloro-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 147699072
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine-3-carbonitrile
CID 147809740
2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 158822502
3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 158041269
ethane;methane;molecular hydrogen;2-phenylethanamine;2-[(9R)-9-phenyl-6-oxaspiro[4.5]decan-9-yl]acetaldehyde;(9R)-9-phenyl-9-(5-phenylpentyl)-6-oxaspiro[4.5]decane
CID 158856113
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
CID 147911027

Frequently Asked Questions

What is the IUPAC name of 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 152845963) is 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is Fc1cc(F)cc(CCCC[C@@]2(c3cccnc3)CCOC3(CCCC3)C2)c1.
What is the InChIKey of 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is TUAXJHNVRNJFFD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29F2NO/c25-21-14-19(15-22(26)16-21)6-1-2-8-23(20-7-5-12-27-17-20)11-13-28-24(18-23)9-3-4-10-24/h5,7,12,14-17H,1-4,6,8-11,13,18H2/t23-/m1/s1.
What are the key properties of 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 385.50 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9R)-9-[4-(3,5-difluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 152845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).