1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol

C7H6Br2F2OS — CID 126985854

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2F2OS/c1-7(10,11)5(12)3-2-4(8)13-6(3)9/h2,5,12H,1H3
InChIKeyHUDVZNRKTXUURS-UHFFFAOYSA-N
MW336.00 g/mol
LogP3.96
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol

1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol (PubChem CID 126985854) has the molecular formula C7H6Br2F2OS and a molecular weight of 336.00 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol
PubChem CID126985854
Molecular FormulaC7H6Br2F2OS
Molecular Weight336.00 g/mol
Exact Mass333.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2F2OS/c1-7(10,11)5(12)3-2-4(8)13-6(3)9/h2,5,12H,1H3
InChIKeyHUDVZNRKTXUURS-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-methylthiophen-3-yl)methanol
CID 65634469
1-(5-Bromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 67325125
1-(2-Bromothiophen-3-yl)-1,2,2-trifluoroethanol
CID 68511887
2,2,3,3,3-Pentafluoro-1-thiophen-3-ylpropan-1-ol
CID 126971202
1-[5-Bromo-4-(trifluoromethyl)thiophen-2-yl]ethanol
CID 174674366
1-(2,5-Dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61080668
1-(2,5-Dibromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 61081618
1-(2,5-Dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 61082423
3,3,3-Trifluoro-1-thiophen-3-ylpropan-1-ol
CID 65099590
1-(5-Bromo-2-methylthiophen-3-yl)-2,2,2-trifluoroethanol
CID 65632403
1-(5-Bromo-2-methylthiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 65633242
1-(5-Bromo-2-methylthiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 65635533

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol (CID 126985854) is 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol is CC(F)(F)C(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol?
The InChIKey is HUDVZNRKTXUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F2OS/c1-7(10,11)5(12)3-2-4(8)13-6(3)9/h2,5,12H,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol?
1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol has a molecular weight of 336.00 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 126985854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).