1-(2,2-difluoroethyl)-3-propan-2-ylazetidine

C8H15F2N — CID 89425130

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)7-3-11(4-7)5-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyIXBXTPHENVZZFL-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine

1-(2,2-difluoroethyl)-3-propan-2-ylazetidine (PubChem CID 89425130) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylazetidine
PubChem CID89425130
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)7-3-11(4-7)5-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyIXBXTPHENVZZFL-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1-(3,3,3-trifluoropropyl)azetidine
CID 57537414
3,3-Difluoro-1-(2-methylpropyl)azetidine
CID 59569193
3-Fluoro-1-(3-methylbutyl)azetidine
CID 89027264
1-(1-Fluoropropan-2-yl)-3-propan-2-ylazetidine
CID 89425128
1-(2,2-Difluoroethyl)-3-methylazetidine
CID 89426154
1-Tert-butyl-3-(trifluoromethyl)azetidine
CID 90450768
1-Tert-butyl-3-(1,1-difluoroethyl)azetidine
CID 90450827
1-(3,3-Dimethylbutyl)-3,3-difluoroazetidine
CID 117704657
4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
CID 117937245
3,3-Difluoro-1-(3-methylbutyl)azetidine
CID 118000455
1-(2-Methylpropyl)-3-(trifluoromethyl)azetidine
CID 118185591
1-Ethyl-3-(trifluoromethyl)azetidine
CID 118188633

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine (CID 89425130) is 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine is CC(C)C1CN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine?
The InChIKey is IXBXTPHENVZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)7-3-11(4-7)5-8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine?
1-(2,2-difluoroethyl)-3-propan-2-ylazetidine has a molecular weight of 163.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 89425130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).