[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H14F3NO — CID 115009541

IUPAC[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3ccc(C(F)(F)F)cc3)CC12
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-1-3-9(4-2-8)17-5-10-11(6-17)12(10)7-18/h1-4,10-12,18H,5-7H2
InChIKeyABCMWTMZHVRWIN-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.38
Rot. Bonds2

About [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 115009541) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID115009541
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3ccc(C(F)(F)F)cc3)CC12
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-1-3-9(4-2-8)17-5-10-11(6-17)12(10)7-18/h1-4,10-12,18H,5-7H2
InChIKeyABCMWTMZHVRWIN-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 115009541) is [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1C2CN(c3ccc(C(F)(F)F)cc3)CC12.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is ABCMWTMZHVRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)8-1-3-9(4-2-8)17-5-10-11(6-17)12(10)7-18/h1-4,10-12,18H,5-7H2.
What are the key properties of [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 257.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 115009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).