3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H17ClFNO — CID 65145900

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)cc2Cl)CC2CCC(C1)N2
InChIInChI=1S/C14H17ClFNO/c15-13-5-10(16)2-1-9(13)6-14(18)7-11-3-4-12(8-14)17-11/h1-2,5,11-12,17-18H,3-4,6-8H2
InChIKeyPQNYDBQVNAVEFN-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.67
Rot. Bonds2

About 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65145900) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65145900
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)cc2Cl)CC2CCC(C1)N2
InChIInChI=1S/C14H17ClFNO/c15-13-5-10(16)2-1-9(13)6-14(18)7-11-3-4-12(8-14)17-11/h1-2,5,11-12,17-18H,3-4,6-8H2
InChIKeyPQNYDBQVNAVEFN-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961793
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 65146244
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
2-[4-fluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171954137
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
CID 65146803

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 65145900) is 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2ccc(F)cc2Cl)CC2CCC(C1)N2.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PQNYDBQVNAVEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-13-5-10(16)2-1-9(13)6-14(18)7-11-3-4-12(8-14)17-11/h1-2,5,11-12,17-18H,3-4,6-8H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 269.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65145900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).