5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol

C14H16F3NO — CID 166265287

IUPAC5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol
SMILESOC1CN(CC(F)(F)c2ccc(F)cc2)CC12CC2
InChIInChI=1S/C14H16F3NO/c15-11-3-1-10(2-4-11)14(16,17)9-18-7-12(19)13(8-18)5-6-13/h1-4,12,19H,5-9H2
InChIKeyPNFLUEOQQKBNRB-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.37
Rot. Bonds3

About 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol

5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol (PubChem CID 166265287) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol
PubChem CID166265287
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol
SMILESOC1CN(CC(F)(F)c2ccc(F)cc2)CC12CC2
InChIInChI=1S/C14H16F3NO/c15-11-3-1-10(2-4-11)14(16,17)9-18-7-12(19)13(8-18)5-6-13/h1-4,12,19H,5-9H2
InChIKeyPNFLUEOQQKBNRB-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 118938536
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol
CID 118962915
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
CID 116790405
5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
CID 131232063
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779852
1-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidine
CID 70124782
5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 167889281
bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol
CID 102408638
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 139009817

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol (CID 166265287) is 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol is OC1CN(CC(F)(F)c2ccc(F)cc2)CC12CC2.
What is the InChIKey of 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is PNFLUEOQQKBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-11-3-1-10(2-4-11)14(16,17)9-18-7-12(19)13(8-18)5-6-13/h1-4,12,19H,5-9H2.
What are the key properties of 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol?
5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 271.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 166265287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).