1-(2,2-dimethylpentyl)-3,3-difluoroazetidine

C10H19F2N — CID 155261793

IUPAC1-(2,2-dimethylpentyl)-3,3-difluoroazetidine
SMILESCCCC(C)(C)CN1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-4-5-9(2,3)6-13-7-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyTZINNTOWVWLSGC-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine

1-(2,2-dimethylpentyl)-3,3-difluoroazetidine (PubChem CID 155261793) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-3,3-difluoroazetidine
PubChem CID155261793
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(2,2-dimethylpentyl)-3,3-difluoroazetidine
SMILESCCCC(C)(C)CN1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-4-5-9(2,3)6-13-7-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyTZINNTOWVWLSGC-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
CID 126989193
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
3,3-difluoro-1-(3-fluorohexyl)azetidine
CID 139476963
3,3-dimethylhexane
CID 11233
1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
1-(3,3-difluoroazetidin-1-yl)-3-methylbutan-2-ol
CID 167493482
ethane;2,2,4,4-tetramethylheptane
CID 143291913
butyl 2-(3,3-difluoroazetidin-1-yl)acetate
CID 71244409
1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine (CID 155261793) is 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine is CCCC(C)(C)CN1CC(F)(F)C1.
What is the InChIKey of 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine?
The InChIKey is TZINNTOWVWLSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-5-9(2,3)6-13-7-10(11,12)8-13/h4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine?
1-(2,2-dimethylpentyl)-3,3-difluoroazetidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentyl)-3,3-difluoroazetidine is sourced from PubChem (CID 155261793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).