2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol

C10H10BrF3O — CID 115051968

IUPAC2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c11-9-4-2-1-3-7(9)5-8(6-15)10(12,13)14/h1-4,8,15H,5-6H2
InChIKeyGEYVQTJTVHSTRW-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.16
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol

2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol (PubChem CID 115051968) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
PubChem CID115051968
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c11-9-4-2-1-3-7(9)5-8(6-15)10(12,13)14/h1-4,8,15H,5-6H2
InChIKeyGEYVQTJTVHSTRW-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309963
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol (CID 115051968) is 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol is OCC(Cc1ccccc1Br)C(F)(F)F.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The InChIKey is GEYVQTJTVHSTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c11-9-4-2-1-3-7(9)5-8(6-15)10(12,13)14/h1-4,8,15H,5-6H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 283.09 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 115051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).