4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

C14H13F4NO2 — CID 106295342

IUPAC4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H13F4NO2/c15-13(16)14(17,18)9-19-12(21)11-6-4-10(5-7-11)3-1-2-8-20/h4-7,13,20H,2,8-9H2,(H,19,21)
InChIKeyXNFGOAIZHNRPNI-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.05
Rot. Bonds5

About 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106295342) has the molecular formula C14H13F4NO2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106295342
Molecular FormulaC14H13F4NO2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H13F4NO2/c15-13(16)14(17,18)9-19-12(21)11-6-4-10(5-7-11)3-1-2-8-20/h4-7,13,20H,2,8-9H2,(H,19,21)
InChIKeyXNFGOAIZHNRPNI-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
ethyl 2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 60816874
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106290959
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
4-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227870
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
4-(4-hydroxybut-1-ynyl)-N-(oxolan-2-ylmethyl)benzamide
CID 60817167
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406745
3-(3-hydroxyprop-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106295344

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106295342) is 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is O=C(NCC(F)(F)C(F)F)c1ccc(C#CCCO)cc1.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is XNFGOAIZHNRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c15-13(16)14(17,18)9-19-12(21)11-6-4-10(5-7-11)3-1-2-8-20/h4-7,13,20H,2,8-9H2,(H,19,21).
What are the key properties of 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 303.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106295342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).