2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol

C9H10BrF2NO — CID 66665882

IUPAC2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol
SMILESNC(CO)(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C9H10BrF2NO/c10-7-3-1-2-6(4-7)9(13,5-14)8(11)12/h1-4,8,14H,5,13H2
InChIKeyVNIOORVMQIAWSJ-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol

2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol (PubChem CID 66665882) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol
PubChem CID66665882
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol
SMILESNC(CO)(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C9H10BrF2NO/c10-7-3-1-2-6(4-7)9(13,5-14)8(11)12/h1-4,8,14H,5,13H2
InChIKeyVNIOORVMQIAWSJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol?
The IUPAC name of 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol (CID 66665882) is 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol.
What is the SMILES notation for 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol?
The canonical SMILES for 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol is NC(CO)(c1cccc(Br)c1)C(F)F.
What is the InChIKey of 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol?
The InChIKey is VNIOORVMQIAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c10-7-3-1-2-6(4-7)9(13,5-14)8(11)12/h1-4,8,14H,5,13H2.
What are the key properties of 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol?
2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol has a molecular weight of 266.08 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol is sourced from PubChem (CID 66665882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).