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

C7H3Br2F5OS — CID 61080668

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3Br2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H
InChIKeyPJNFEMVHXQSGLQ-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.50
Rot. Bonds2

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

1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 61080668) has the molecular formula C7H3Br2F5OS and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID61080668
Molecular FormulaC7H3Br2F5OS
Molecular Weight389.97 g/mol
Exact Mass387.82
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3Br2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H
InChIKeyPJNFEMVHXQSGLQ-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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)-2,2,2-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
1-(5-Bromo-2-methylthiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715017
1-(2,5-Dibromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715627

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 61080668) is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is PJNFEMVHXQSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 389.97 g/mol, XLogP of 4.50, 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)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 61080668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).