3-fluoro-1-methyl-3-(trifluoromethyl)azetidine

C5H7F4N — CID 58544110

IUPAC3-fluoro-1-methyl-3-(trifluoromethyl)azetidine
SMILESCN1CC(F)(C(F)(F)F)C1
InChIInChI=1S/C5H7F4N/c1-10-2-4(6,3-10)5(7,8)9/h2-3H2,1H3
InChIKeyGRMJPRJHOYEAMH-UHFFFAOYSA-N
MW157.11 g/mol
LogP1.20
Rot. Bonds

About 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine

3-fluoro-1-methyl-3-(trifluoromethyl)azetidine (PubChem CID 58544110) has the molecular formula C5H7F4N and a molecular weight of 157.11 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(trifluoromethyl)azetidine
PubChem CID58544110
Molecular FormulaC5H7F4N
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name3-fluoro-1-methyl-3-(trifluoromethyl)azetidine
SMILESCN1CC(F)(C(F)(F)F)C1
InChIInChI=1S/C5H7F4N/c1-10-2-4(6,3-10)5(7,8)9/h2-3H2,1H3
InChIKeyGRMJPRJHOYEAMH-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine 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

(Heptafluoroisopropyl)trimethylamine
CID 12655947
1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
CID 12661112
1-(Trifluoromethyl)azetidine
CID 57502410
3-Methyl-1-(3,3,3-trifluoropropyl)azetidine
CID 57537414
3,3-Difluoro-1-methylazetidine
CID 59495756
3,3-Difluoro-1-(2-methylpropyl)azetidine
CID 59569193
1-Ethyl-3,3-difluoroazetidine
CID 59626753
3,3-Difluoro-1-propylazetidine
CID 67967746
3-Methyl-1-(trifluoromethyl)azetidine
CID 68099684
3-Fluoro-1,3-dimethylazetidine
CID 89296536
1-(2,2-Difluoroethyl)-3-methylazetidine
CID 89426154
3-(Difluoromethyl)-1-methylazetidine
CID 89634548

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine?
The IUPAC name of 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine (CID 58544110) is 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine is CN1CC(F)(C(F)(F)F)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine?
The InChIKey is GRMJPRJHOYEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4N/c1-10-2-4(6,3-10)5(7,8)9/h2-3H2,1H3.
What are the key properties of 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine?
3-fluoro-1-methyl-3-(trifluoromethyl)azetidine has a molecular weight of 157.11 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 58544110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).