(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol

C10H12BrFO3 — CID 129250594

IUPAC(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
SMILESC[C@@](O)(CO)COc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO3/c1-10(14,5-13)6-15-7-2-3-8(11)9(12)4-7/h2-4,13-14H,5-6H2,1H3/t10-/m1/s1
InChIKeyRJTCSZUOAUNFSI-SNVBAGLBSA-N
MW279.11 g/mol
LogP1.71
Rot. Bonds4

About (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol

(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol (PubChem CID 129250594) has the molecular formula C10H12BrFO3 and a molecular weight of 279.11 g/mol. Its IUPAC name is (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
PubChem CID129250594
Molecular FormulaC10H12BrFO3
Molecular Weight279.11 g/mol
Exact Mass278.00
IUPAC Name(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
SMILESC[C@@](O)(CO)COc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO3/c1-10(14,5-13)6-15-7-2-3-8(11)9(12)4-7/h2-4,13-14H,5-6H2,1H3/t10-/m1/s1
InChIKeyRJTCSZUOAUNFSI-SNVBAGLBSA-N
XLogP1.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
4-(4-bromo-3-fluorophenoxy)-2,2-dimethylbutanoic acid
CID 65248321
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
1-bromo-4-[2-(bromomethyl)-3,3-dimethylbutoxy]-2-fluorobenzene
CID 65203647
1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202998
1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
CID 114472666
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
CID 83234065
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol?
The IUPAC name of (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol (CID 129250594) is (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol.
What is the SMILES notation for (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol?
The canonical SMILES for (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol is C[C@@](O)(CO)COc1ccc(Br)c(F)c1.
What is the InChIKey of (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol?
The InChIKey is RJTCSZUOAUNFSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-10(14,5-13)6-15-7-2-3-8(11)9(12)4-7/h2-4,13-14H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol?
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol has a molecular weight of 279.11 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol is sourced from PubChem (CID 129250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).