3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide

C12H11F6NO2 — CID 89166264

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
SMILESCC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-10(21,5-9(19)20)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,21H,5H2,1H3,(H2,19,20)
InChIKeyCZZWOUYJARUGGU-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.81
Rot. Bonds3

About 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide

3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide (PubChem CID 89166264) has the molecular formula C12H11F6NO2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
PubChem CID89166264
Molecular FormulaC12H11F6NO2
Molecular Weight315.21 g/mol
Exact Mass315.07
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
SMILESCC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-10(21,5-9(19)20)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,21H,5H2,1H3,(H2,19,20)
InChIKeyCZZWOUYJARUGGU-UHFFFAOYSA-N
XLogP2.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
CID 10830106
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
3-[3,5-bis(trifluoromethyl)phenyl]but-3-enamide
CID 99942324
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
2-[3-methyl-5-(trifluoromethyl)phenyl]pent-4-yn-2-ol
CID 130211257

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide (CID 89166264) is 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide is CC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide?
The InChIKey is CZZWOUYJARUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO2/c1-10(21,5-9(19)20)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,21H,5H2,1H3,(H2,19,20).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide?
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide has a molecular weight of 315.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide is sourced from PubChem (CID 89166264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).