2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol

C8H16FNO — CID 105431672

IUPAC2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol
SMILESCC(C)N1CC(C(F)CO)C1
InChIInChI=1S/C8H16FNO/c1-6(2)10-3-7(4-10)8(9)5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyDCVQWLIYVHZETK-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds3

About 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol

2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol (PubChem CID 105431672) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol
PubChem CID105431672
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol
SMILESCC(C)N1CC(C(F)CO)C1
InChIInChI=1S/C8H16FNO/c1-6(2)10-3-7(4-10)8(9)5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyDCVQWLIYVHZETK-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
(2R)-2-cyclobutyl-2-fluoroethanol
CID 129462304
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol (CID 105431672) is 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol is CC(C)N1CC(C(F)CO)C1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol?
The InChIKey is DCVQWLIYVHZETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)10-3-7(4-10)8(9)5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol?
2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol is sourced from PubChem (CID 105431672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).