1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine

C9H13F2N — CID 161100169

IUPAC1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
SMILESC=C=C(CC)CN1CC(F)(F)C1
InChIInChI=1S/C9H13F2N/c1-3-8(4-2)5-12-6-9(10,11)7-12/h1,4-7H2,2H3
InChIKeyUIHVWPHELCBQIP-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine

1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine (PubChem CID 161100169) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
PubChem CID161100169
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
SMILESC=C=C(CC)CN1CC(F)(F)C1
InChIInChI=1S/C9H13F2N/c1-3-8(4-2)5-12-6-9(10,11)7-12/h1,4-7H2,2H3
InChIKeyUIHVWPHELCBQIP-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4,4-difluoro-N,3-dimethylbut-3-en-1-amine
CID 89242977
3,3-Difluoro-1-(2-methylidenebut-3-enyl)azetidine
CID 123866763
3-(Difluoromethylidene)-1-ethylazetidine
CID 139474852
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
3,3-Difluoro-1-(3-methylbut-3-enyl)azetidine
CID 174352272
3-Fluoro-1-(3-methylbut-3-enyl)azetidine
CID 174354903
(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine
CID 178088350
(2R,3E)-3-(fluoromethylidene)-2-methyl-1-propan-2-ylazetidine
CID 178952579
(2R,3Z)-3-(fluoromethylidene)-2-methyl-1-propan-2-ylazetidine
CID 178952801
1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)azetidine
CID 130723540

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine (CID 161100169) is 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine is C=C=C(CC)CN1CC(F)(F)C1.
What is the InChIKey of 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine?
The InChIKey is UIHVWPHELCBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-3-8(4-2)5-12-6-9(10,11)7-12/h1,4-7H2,2H3.
What are the key properties of 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine?
1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine has a molecular weight of 173.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbuta-2,3-dienyl)-3,3-difluoroazetidine is sourced from PubChem (CID 161100169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).