[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol

C9H5BrF6O — CID 134638808

IUPAC[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF6O/c10-7-5(8(11,12)13)1-4(3-17)2-6(7)9(14,15)16/h1-2,17H,3H2
InChIKeyXRRCNQNFLXFFRG-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.98
Rot. Bonds1

About [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol

[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol (PubChem CID 134638808) has the molecular formula C9H5BrF6O and a molecular weight of 323.03 g/mol. Its IUPAC name is [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
PubChem CID134638808
Molecular FormulaC9H5BrF6O
Molecular Weight323.03 g/mol
Exact Mass321.94
IUPAC Name[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF6O/c10-7-5(8(11,12)13)1-4(3-17)2-6(7)9(14,15)16/h1-2,17H,3H2
InChIKeyXRRCNQNFLXFFRG-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(hydroxymethyl)-2,3-bis(trifluoromethyl)phenol
CID 134638839
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
CID 130775166
[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol
CID 134638824
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
2-[4-bromo-3-iodo-5-(trifluoromethyl)phenyl]acetonitrile
CID 171007463
[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol
CID 171002471
[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol
CID 131118686
[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
CID 84706048

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol (CID 134638808) is [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is XRRCNQNFLXFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF6O/c10-7-5(8(11,12)13)1-4(3-17)2-6(7)9(14,15)16/h1-2,17H,3H2.
What are the key properties of [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol?
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 323.03 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134638808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).