[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol

C7H11F2NO — CID 156704494

IUPAC[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(C(F)F)(CN1)C2
InChIInChI=1S/C7H11F2NO/c8-5(9)6-1-7(2-6,4-11)10-3-6/h5,10-11H,1-4H2
InChIKeyAYIHDRFTWYLOLB-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.37
Rot. Bonds2

About [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol

[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol (PubChem CID 156704494) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
PubChem CID156704494
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(C(F)F)(CN1)C2
InChIInChI=1S/C7H11F2NO/c8-5(9)6-1-7(2-6,4-11)10-3-6/h5,10-11H,1-4H2
InChIKeyAYIHDRFTWYLOLB-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Azabicyclo(2.1.1)hexan-1-yl)methanol
CID 11366969
(4,4-Difluoro-2-methylpyrrolidin-2-yl)methanol hydrochloride
CID 118798634
[2-(Trifluoromethyl)pyrrolidin-2-yl]methanol
CID 76222860
{4-Methyl-2-azabicyclo[2.1.1]hexan-1-yl}methanol
CID 154842428
[4-(Difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol hydrochloride
CID 165818450
[1-(Trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride
CID 178199964
[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 55277936
(4,4-Difluoro-2-methylpyrrolidin-2-yl)methanol
CID 118798635
[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol
CID 146273213
(4-Fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 156704489
[2-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]methanol
CID 84072798
[(2R)-4,4-difluoro-2-methylpyrrolidin-2-yl]methanol
CID 125117369

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol (CID 156704494) is [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol is OCC12CC(C(F)F)(CN1)C2.
What is the InChIKey of [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The InChIKey is AYIHDRFTWYLOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-5(9)6-1-7(2-6,4-11)10-3-6/h5,10-11H,1-4H2.
What are the key properties of [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
[4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol has a molecular weight of 163.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol is sourced from PubChem (CID 156704494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).