[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol

C11H12BrF2NO — CID 125467003

IUPAC[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol
SMILESOCc1cc(Br)cc(NC[C@H]2CC2(F)F)c1
InChIInChI=1S/C11H12BrF2NO/c12-9-1-7(6-16)2-10(3-9)15-5-8-4-11(8,13)14/h1-3,8,15-16H,4-6H2/t8-/m1/s1
InChIKeyILAMSGNDVIEWAL-MRVPVSSYSA-N
MW292.12 g/mol
LogP3.01
Rot. Bonds4

About [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol

[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol (PubChem CID 125467003) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol
PubChem CID125467003
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol
SMILESOCc1cc(Br)cc(NC[C@H]2CC2(F)F)c1
InChIInChI=1S/C11H12BrF2NO/c12-9-1-7(6-16)2-10(3-9)15-5-8-4-11(8,13)14/h1-3,8,15-16H,4-6H2/t8-/m1/s1
InChIKeyILAMSGNDVIEWAL-MRVPVSSYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol?
The IUPAC name of [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol (CID 125467003) is [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol?
The canonical SMILES for [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol is OCc1cc(Br)cc(NC[C@H]2CC2(F)F)c1.
What is the InChIKey of [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol?
The InChIKey is ILAMSGNDVIEWAL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-9-1-7(6-16)2-10(3-9)15-5-8-4-11(8,13)14/h1-3,8,15-16H,4-6H2/t8-/m1/s1.
What are the key properties of [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol?
[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol has a molecular weight of 292.12 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol is sourced from PubChem (CID 125467003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).