2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol

C14H13BrF2OS — CID 106274378

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2OS/c1-2-8-5-6-19-14(8)12(18)7-9-11(16)4-3-10(15)13(9)17/h3-6,12,18H,2,7H2,1H3
InChIKeyKQOQKPAQRAXNNH-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.63
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 106274378) has the molecular formula C14H13BrF2OS and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID106274378
Molecular FormulaC14H13BrF2OS
Molecular Weight347.22 g/mol
Exact Mass345.98
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2OS/c1-2-8-5-6-19-14(8)12(18)7-9-11(16)4-3-10(15)13(9)17/h3-6,12,18H,2,7H2,1H3
InChIKeyKQOQKPAQRAXNNH-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.63
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

2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
(3-bromo-2,6-difluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106944602
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 106274016
2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 106274403
N-[2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 106274329
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 106274257
(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 115797090
2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 106274096
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol (CID 106274378) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is KQOQKPAQRAXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2OS/c1-2-8-5-6-19-14(8)12(18)7-9-11(16)4-3-10(15)13(9)17/h3-6,12,18H,2,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol has a molecular weight of 347.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 106274378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).