(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide

C10H9ClF3NO2 — CID 129078555

IUPAC(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cc(Cl)cc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H9ClF3NO2/c1-5(9(15)16)17-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,1H3,(H2,15,16)/t5-/m0/s1
InChIKeyPIDAGXYKVJWZDW-YFKPBYRVSA-N
MW267.63 g/mol
LogP2.61
Rot. Bonds3

About (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide

(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide (PubChem CID 129078555) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide
PubChem CID129078555
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cc(Cl)cc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H9ClF3NO2/c1-5(9(15)16)17-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,1H3,(H2,15,16)/t5-/m0/s1
InChIKeyPIDAGXYKVJWZDW-YFKPBYRVSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
(3S)-3-[3-chloro-5-(trifluoromethyl)phenoxy]butan-2-one
CID 159441431
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
3-amino-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanal
CID 129095094
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
[(2S)-1-amino-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 7796154
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 7796196
N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
CID 134433954
[3,5-bis(trifluoromethyl)phenyl] 2-methylpropanoate
CID 87431527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide (CID 129078555) is (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1cc(Cl)cc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is PIDAGXYKVJWZDW-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-5(9(15)16)17-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,1H3,(H2,15,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide?
(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 267.63 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 129078555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).