trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide

C14H16F3NO2 — CID 100842374

IUPACtrans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-8-6-10(8)13(20)18-7-12(19)9-4-2-3-5-11(9)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/t8-,10-,12-/m1/s1
InChIKeyBVKVOGUOPPZBIB-HLUHBDAQSA-N
MW287.28 g/mol
LogP2.51
Rot. Bonds4

About trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 100842374) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID100842374
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Nametrans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-8-6-10(8)13(20)18-7-12(19)9-4-2-3-5-11(9)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/t8-,10-,12-/m1/s1
InChIKeyBVKVOGUOPPZBIB-HLUHBDAQSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 98784919
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 97193145
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60591540
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide (CID 100842374) is trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BVKVOGUOPPZBIB-HLUHBDAQSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-8-6-10(8)13(20)18-7-12(19)9-4-2-3-5-11(9)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/t8-,10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 100842374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).