(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide

C10H12F3NO — CID 143689208

IUPAC(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide
SMILESCNC(=O)[C@@H](C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-14-9(15)8(10(11,12)13)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyBDVYAFCLAGCZOF-MRVPVSSYSA-N
MW219.21 g/mol
LogP2.19
Rot. Bonds2

About (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide

(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 143689208) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide
PubChem CID143689208
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide
SMILESCNC(=O)[C@@H](C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-14-9(15)8(10(11,12)13)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyBDVYAFCLAGCZOF-MRVPVSSYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide (CID 143689208) is (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide is CNC(=O)[C@@H](C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is BDVYAFCLAGCZOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14-9(15)8(10(11,12)13)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide?
(2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 219.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-1,5-dien-1-yl-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 143689208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).