1-(3-ethylphenyl)-3,3-difluoroazetidine

C11H13F2N — CID 148676265

IUPAC1-(3-ethylphenyl)-3,3-difluoroazetidine
SMILESCCc1cccc(N2CC(F)(F)C2)c1
InChIInChI=1S/C11H13F2N/c1-2-9-4-3-5-10(6-9)14-7-11(12,13)8-14/h3-6H,2,7-8H2,1H3
InChIKeyNQSAPBMCJKWCJQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-ethylphenyl)-3,3-difluoroazetidine

1-(3-ethylphenyl)-3,3-difluoroazetidine (PubChem CID 148676265) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3,3-difluoroazetidine
PubChem CID148676265
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-(3-ethylphenyl)-3,3-difluoroazetidine
SMILESCCc1cccc(N2CC(F)(F)C2)c1
InChIInChI=1S/C11H13F2N/c1-2-9-4-3-5-10(6-9)14-7-11(12,13)8-14/h3-6H,2,7-8H2,1H3
InChIKeyNQSAPBMCJKWCJQ-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-ethylphenyl)-1-hydroxy-1-methylpiperazin-1-ium
CID 145226331
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
CID 176934415
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
4-(3-ethylphenyl)morpholine-2,6-dione
CID 63777941
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
ethane;2-(3-ethylphenyl)triazole
CID 144607223
1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
CID 143169930
3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
CID 15124551
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
CID 48926076

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(3-ethylphenyl)-3,3-difluoroazetidine (CID 148676265) is 1-(3-ethylphenyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(3-ethylphenyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(3-ethylphenyl)-3,3-difluoroazetidine is CCc1cccc(N2CC(F)(F)C2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3,3-difluoroazetidine?
The InChIKey is NQSAPBMCJKWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-2-9-4-3-5-10(6-9)14-7-11(12,13)8-14/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-3,3-difluoroazetidine?
1-(3-ethylphenyl)-3,3-difluoroazetidine has a molecular weight of 197.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3,3-difluoroazetidine is sourced from PubChem (CID 148676265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).