N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide

C14H16F3NO3 — CID 138024701

IUPACN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NC(CO)c2ccccc2C(F)(F)F)COC1
InChIInChI=1S/C14H16F3NO3/c1-13(7-21-8-13)12(20)18-11(6-19)9-4-2-3-5-10(9)14(15,16)17/h2-5,11,19H,6-8H2,1H3,(H,18,20)
InChIKeyPXHQGNAXORSZIL-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.89
Rot. Bonds4

About N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide (PubChem CID 138024701) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
PubChem CID138024701
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NC(CO)c2ccccc2C(F)(F)F)COC1
InChIInChI=1S/C14H16F3NO3/c1-13(7-21-8-13)12(20)18-11(6-19)9-4-2-3-5-10(9)14(15,16)17/h2-5,11,19H,6-8H2,1H3,(H,18,20)
InChIKeyPXHQGNAXORSZIL-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 138052493
(3S)-3-[(2,2,2-trifluoroacetyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 167716256
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167756112
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646824
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
CID 138051733
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide (CID 138024701) is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)NC(CO)c2ccccc2C(F)(F)F)COC1.
What is the InChIKey of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide?
The InChIKey is PXHQGNAXORSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-13(7-21-8-13)12(20)18-11(6-19)9-4-2-3-5-10(9)14(15,16)17/h2-5,11,19H,6-8H2,1H3,(H,18,20).
What are the key properties of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide?
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 138024701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).