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

C10H17F2N — CID 58116614

IUPAC1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine
SMILESC=C(CC(C)(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-8(5-9(2,3)4)13-6-10(11,12)7-13/h1,5-7H2,2-4H3
InChIKeyFXICHNPZFCCMTH-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds2

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

1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine (PubChem CID 58116614) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine
PubChem CID58116614
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine
SMILESC=C(CC(C)(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-8(5-9(2,3)4)13-6-10(11,12)7-13/h1,5-7H2,2-4H3
InChIKeyFXICHNPZFCCMTH-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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine?
The IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine (CID 58116614) is 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine is C=C(CC(C)(C)C)N1CC(F)(F)C1.
What is the InChIKey of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine?
The InChIKey is FXICHNPZFCCMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(5-9(2,3)4)13-6-10(11,12)7-13/h1,5-7H2,2-4H3.
What are the key properties of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine?
1-(4,4-dimethylpent-1-en-2-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-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoroazetidine is sourced from PubChem (CID 58116614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).