5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid

C14H12F2O2S — CID 142940880

IUPAC5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
SMILESCCC(F)(F)c1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H12F2O2S/c1-2-14(15,16)10-5-3-9(4-6-10)11-7-8-12(19-11)13(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyRXEAKJOKKDNXKH-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.62
Rot. Bonds4

About 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid

5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 142940880) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
PubChem CID142940880
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
SMILESCCC(F)(F)c1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H12F2O2S/c1-2-14(15,16)10-5-3-9(4-6-10)11-7-8-12(19-11)13(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyRXEAKJOKKDNXKH-UHFFFAOYSA-N
XLogP4.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
CID 150344942
2,4-dioxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]butanoic acid
CID 90938710
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
(E)-3-[5-(4-tert-butylphenyl)thiophen-2-yl]but-2-enoic acid
CID 82543806
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
5-(4-azidophenyl)thiophene-2-carboxylic acid
CID 165474509
5-[5-[4-[4-(5-hexylthiophen-2-yl)-N-[4-(5-hexylthiophen-2-yl)phenyl]anilino]phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 101136994
5-[7-(5-carboxythiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophene-2-carboxylic acid
CID 101211871
1-[5-[4-[(dimethylamino)methyl]phenyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171929917
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
CID 81224038
5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
CID 118468569

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid (CID 142940880) is 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid is CCC(F)(F)c1ccc(-c2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is RXEAKJOKKDNXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-2-14(15,16)10-5-3-9(4-6-10)11-7-8-12(19-11)13(17)18/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid?
5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 282.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 142940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).