[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol

C14H16ClF2NO2 — CID 154735577

IUPAC[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(CN1Cc1cc(Cl)ccc1OC(F)F)C2
InChIInChI=1S/C14H16ClF2NO2/c15-11-1-2-12(20-13(16)17)10(3-11)7-18-6-9-4-14(18,5-9)8-19/h1-3,9,13,19H,4-8H2
InChIKeyQNXBABGTINPRIX-UHFFFAOYSA-N
MW303.74 g/mol
LogP2.90
Rot. Bonds5

About [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol

[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol (PubChem CID 154735577) has the molecular formula C14H16ClF2NO2 and a molecular weight of 303.74 g/mol. Its IUPAC name is [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol.

Molecular Properties

Compound Name[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol
PubChem CID154735577
Molecular FormulaC14H16ClF2NO2
Molecular Weight303.74 g/mol
Exact Mass303.08
IUPAC Name[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(CN1Cc1cc(Cl)ccc1OC(F)F)C2
InChIInChI=1S/C14H16ClF2NO2/c15-11-1-2-12(20-13(16)17)10(3-11)7-18-6-9-4-14(18,5-9)8-19/h1-3,9,13,19H,4-8H2
InChIKeyQNXBABGTINPRIX-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol with MolForge

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Related Compounds

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CID 124839827
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Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The IUPAC name of [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol (CID 154735577) is [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol.
What is the SMILES notation for [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The canonical SMILES for [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol is OCC12CC(CN1Cc1cc(Cl)ccc1OC(F)F)C2.
What is the InChIKey of [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The InChIKey is QNXBABGTINPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO2/c15-11-1-2-12(20-13(16)17)10(3-11)7-18-6-9-4-14(18,5-9)8-19/h1-3,9,13,19H,4-8H2.
What are the key properties of [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol has a molecular weight of 303.74 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol is sourced from PubChem (CID 154735577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).