1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol

C14H19BrF2O2 — CID 106266621

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol
SMILESCCOC(C)(CC)C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H19BrF2O2/c1-4-14(3,19-5-2)12(18)8-9-11(16)7-6-10(15)13(9)17/h6-7,12,18H,4-5,8H2,1-3H3
InChIKeyORSWBAVLQDUMJY-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.84
Rot. Bonds6

About 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol (PubChem CID 106266621) has the molecular formula C14H19BrF2O2 and a molecular weight of 337.20 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol
PubChem CID106266621
Molecular FormulaC14H19BrF2O2
Molecular Weight337.20 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol
SMILESCCOC(C)(CC)C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H19BrF2O2/c1-4-14(3,19-5-2)12(18)8-9-11(16)7-6-10(15)13(9)17/h6-7,12,18H,4-5,8H2,1-3H3
InChIKeyORSWBAVLQDUMJY-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303
1-(3-bromo-2,6-difluorophenyl)-5-ethoxypentan-2-ol
CID 106274424
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 106274060
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-2-methylbutan-1-one
CID 106941867
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
CID 106274511
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methoxybutan-2-amine
CID 114166240
1-(3-bromo-2,6-difluorophenyl)-3-methoxyhexan-2-amine
CID 106268510

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol (CID 106266621) is 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol is CCOC(C)(CC)C(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol?
The InChIKey is ORSWBAVLQDUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2O2/c1-4-14(3,19-5-2)12(18)8-9-11(16)7-6-10(15)13(9)17/h6-7,12,18H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol has a molecular weight of 337.20 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol is sourced from PubChem (CID 106266621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).