N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide

C10H8ClF4NO — CID 5075386

IUPACN-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide
SMILESCc1cccc(Cl)c1NC(=O)C(F)C(F)(F)F
InChIInChI=1S/C10H8ClF4NO/c1-5-3-2-4-6(11)7(5)16-9(17)8(12)10(13,14)15/h2-4,8H,1H3,(H,16,17)
InChIKeyHYNQWYREEFUPSB-UHFFFAOYSA-N
MW269.62 g/mol
LogP3.49
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide

N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide (PubChem CID 5075386) has the molecular formula C10H8ClF4NO and a molecular weight of 269.62 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide
PubChem CID5075386
Molecular FormulaC10H8ClF4NO
Molecular Weight269.62 g/mol
Exact Mass269.02
IUPAC NameN-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide
SMILESCc1cccc(Cl)c1NC(=O)C(F)C(F)(F)F
InChIInChI=1S/C10H8ClF4NO/c1-5-3-2-4-6(11)7(5)16-9(17)8(12)10(13,14)15/h2-4,8H,1H3,(H,16,17)
InChIKeyHYNQWYREEFUPSB-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide (CID 5075386) is N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide is Cc1cccc(Cl)c1NC(=O)C(F)C(F)(F)F.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide?
The InChIKey is HYNQWYREEFUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO/c1-5-3-2-4-6(11)7(5)16-9(17)8(12)10(13,14)15/h2-4,8H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide?
N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide has a molecular weight of 269.62 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 5075386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).