(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide

C10H6F7NO2 — CID 2316804

IUPAC(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](F)C(F)(F)F
InChIInChI=1S/C10H6F7NO2/c11-7(9(12,13)14)8(19)18-5-1-3-6(4-2-5)20-10(15,16)17/h1-4,7H,(H,18,19)/t7-/m1/s1
InChIKeyDIUQLUFJBIVLIQ-SSDOTTSWSA-N
MW305.15 g/mol
LogP3.42
Rot. Bonds3

About (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide

(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 2316804) has the molecular formula C10H6F7NO2 and a molecular weight of 305.15 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID2316804
Molecular FormulaC10H6F7NO2
Molecular Weight305.15 g/mol
Exact Mass305.03
IUPAC Name(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](F)C(F)(F)F
InChIInChI=1S/C10H6F7NO2/c11-7(9(12,13)14)8(19)18-5-1-3-6(4-2-5)20-10(15,16)17/h1-4,7H,(H,18,19)/t7-/m1/s1
InChIKeyDIUQLUFJBIVLIQ-SSDOTTSWSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
(2S)-2-amino-4-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 61149114
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 2316804) is (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](F)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DIUQLUFJBIVLIQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H6F7NO2/c11-7(9(12,13)14)8(19)18-5-1-3-6(4-2-5)20-10(15,16)17/h1-4,7H,(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 305.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 2316804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).