(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine

C14H16F5NO — CID 157032685

IUPAC(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@H](Oc2ccc(F)c(C(F)F)c2)C(F)(F)C1
InChIInChI=1S/C14H16F5NO/c1-8(2)20-6-12(14(18,19)7-20)21-9-3-4-11(15)10(5-9)13(16)17/h3-5,8,12-13H,6-7H2,1-2H3/t12-/m0/s1
InChIKeyVAKLJEOWKGIYNE-LBPRGKRZSA-N
MW309.28 g/mol
LogP3.87
Rot. Bonds4

About (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine

(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine (PubChem CID 157032685) has the molecular formula C14H16F5NO and a molecular weight of 309.28 g/mol. Its IUPAC name is (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine
PubChem CID157032685
Molecular FormulaC14H16F5NO
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@H](Oc2ccc(F)c(C(F)F)c2)C(F)(F)C1
InChIInChI=1S/C14H16F5NO/c1-8(2)20-6-12(14(18,19)7-20)21-9-3-4-11(15)10(5-9)13(16)17/h3-5,8,12-13H,6-7H2,1-2H3/t12-/m0/s1
InChIKeyVAKLJEOWKGIYNE-LBPRGKRZSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine 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

(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoropyrrolidine-1-carboxylic acid
CID 176656748
4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
CID 157032281
5-[6-[(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoropyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-1H-pyrimidine-2,4-dione
CID 170709438
2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 157032703
4-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-2-(trifluoromethyl)pyrimidine
CID 157032640
3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 165144232
(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine
CID 170709406
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161480
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171280176
3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345004
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
2-(1-bromoethyl)-1-fluoro-4-methoxybenzene
CID 130132946

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine (CID 157032685) is (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine is CC(C)N1C[C@H](Oc2ccc(F)c(C(F)F)c2)C(F)(F)C1.
What is the InChIKey of (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine?
The InChIKey is VAKLJEOWKGIYNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16F5NO/c1-8(2)20-6-12(14(18,19)7-20)21-9-3-4-11(15)10(5-9)13(16)17/h3-5,8,12-13H,6-7H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine?
(4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine has a molecular weight of 309.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(difluoromethyl)-4-fluorophenoxy]-3,3-difluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157032685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).