(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide

C18H16F3NO2 — CID 9088321

IUPAC(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
SMILESC[C@](O)(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-17(24,18(19,20)21)10-16(23)22-13-7-6-12-8-11-4-2-3-5-14(11)15(12)9-13/h2-7,9,24H,8,10H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyJEPCZOJZVXOQTO-KRWDZBQOSA-N
MW335.33 g/mol
LogP3.90
Rot. Bonds3

About (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide

(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide (PubChem CID 9088321) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
PubChem CID9088321
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
SMILESC[C@](O)(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-17(24,18(19,20)21)10-16(23)22-13-7-6-12-8-11-4-2-3-5-14(11)15(12)9-13/h2-7,9,24H,8,10H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyJEPCZOJZVXOQTO-KRWDZBQOSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3,4-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9070227
N-(9H-fluoren-3-yl)-2-(2-methoxyphenyl)acetamide
CID 8699315
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
N-(9H-fluoren-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 24583638
N-(9H-fluoren-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9088349
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide?
The IUPAC name of (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide (CID 9088321) is (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide?
The canonical SMILES for (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide is C[C@](O)(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(F)(F)F.
What is the InChIKey of (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide?
The InChIKey is JEPCZOJZVXOQTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-17(24,18(19,20)21)10-16(23)22-13-7-6-12-8-11-4-2-3-5-14(11)15(12)9-13/h2-7,9,24H,8,10H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide?
(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide has a molecular weight of 335.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 9088321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).