ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol

C9H20FNO — CID 168906490

IUPACethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
SMILESCC.CC(C)N1CC(F)(CO)C1
InChIInChI=1S/C7H14FNO.C2H6/c1-6(2)9-3-7(8,4-9)5-10;1-2/h6,10H,3-5H2,1-2H3;1-2H3
InChIKeyBYGRWWLTAAHQHX-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.44
Rot. Bonds2

About ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol

ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol (PubChem CID 168906490) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
PubChem CID168906490
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Nameethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
SMILESCC.CC(C)N1CC(F)(CO)C1
InChIInChI=1S/C7H14FNO.C2H6/c1-6(2)9-3-7(8,4-9)5-10;1-2/h6,10H,3-5H2,1-2H3;1-2H3
InChIKeyBYGRWWLTAAHQHX-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
3-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butan-2-ol
CID 131175976
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 167340283
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146

Frequently Asked Questions

What is the IUPAC name of ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol?
The IUPAC name of ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol (CID 168906490) is ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol.
What is the SMILES notation for ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol?
The canonical SMILES for ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol is CC.CC(C)N1CC(F)(CO)C1.
What is the InChIKey of ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol?
The InChIKey is BYGRWWLTAAHQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.C2H6/c1-6(2)9-3-7(8,4-9)5-10;1-2/h6,10H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol?
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol has a molecular weight of 177.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol is sourced from PubChem (CID 168906490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).