1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine

C10H17F2N — CID 163708037

IUPAC1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine
SMILESCC(C)=C(C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-7(2)9(8(3)4)13-5-10(11,12)6-13/h7H,5-6H2,1-4H3
InChIKeyKGTYNYOHCGKVIR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds2

About 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine

1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine (PubChem CID 163708037) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine
PubChem CID163708037
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine
SMILESCC(C)=C(C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-7(2)9(8(3)4)13-5-10(11,12)6-13/h7H,5-6H2,1-4H3
InChIKeyKGTYNYOHCGKVIR-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
3,3-Difluoro-1-(3-methylbut-2-en-2-yl)azetidine
CID 155036779
3,3-difluoro-1-[(Z)-4-methylpent-2-en-3-yl]azetidine
CID 155036910
1-(2,4-Dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
CID 163569908
3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine
CID 166960459
(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
CID 174023168
1-Propan-2-yl-2-propan-2-ylideneazetidine
CID 134202788
1-(2,4-Dimethylpent-2-en-3-yl)azetidine
CID 155036780

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine?
The IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine (CID 163708037) is 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine is CC(C)=C(C(C)C)N1CC(F)(F)C1.
What is the InChIKey of 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine?
The InChIKey is KGTYNYOHCGKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)9(8(3)4)13-5-10(11,12)6-13/h7H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine?
1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine has a molecular weight of 189.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-2-en-3-yl)-3,3-difluoroazetidine is sourced from PubChem (CID 163708037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).