4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one

C14H13F6NO — CID 146000553

IUPAC4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H13F6NO/c15-13(16,17)6-5-12(22)21-7-10(8-21)9-1-3-11(4-2-9)14(18,19)20/h1-4,10H,5-8H2
InChIKeyBPDPVIZZWQZRSH-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.97
Rot. Bonds3

About 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one (PubChem CID 146000553) has the molecular formula C14H13F6NO and a molecular weight of 325.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
PubChem CID146000553
Molecular FormulaC14H13F6NO
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC Name4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H13F6NO/c15-13(16,17)6-5-12(22)21-7-10(8-21)9-1-3-11(4-2-9)14(18,19)20/h1-4,10H,5-8H2
InChIKeyBPDPVIZZWQZRSH-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one 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

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 79410280
4,4,4-trifluoro-1-[(3R)-3-phenylazepan-1-yl]butan-1-one
CID 129355632
4,4,4-trifluoro-1-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 56946259
1-[3-(4-tert-butylphenyl)azetidin-1-yl]-2-methoxyethanone
CID 69029834
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]sulfanylacetic acid
CID 120551044
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]ethyl]-3,3-diphenylpiperidine-2-carbaldehyde
CID 174630006
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 70706732
(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
CID 164953510
(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745538
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
CID 66201657
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one (CID 146000553) is 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one?
The InChIKey is BPDPVIZZWQZRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO/c15-13(16,17)6-5-12(22)21-7-10(8-21)9-1-3-11(4-2-9)14(18,19)20/h1-4,10H,5-8H2.
What are the key properties of 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one has a molecular weight of 325.25 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one is sourced from PubChem (CID 146000553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).