ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

C10H21F2NO — CID 170771705

IUPACethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCC.CCC1(CO)CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-3-7(6-12)4-8(9,10)5-11(7)2;1-2/h12H,3-6H2,1-2H3;1-2H3
InChIKeyITKRCZPYKZHIBN-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.12
Rot. Bonds2

About ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (PubChem CID 170771705) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Nameethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
PubChem CID170771705
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Nameethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCC.CCC1(CO)CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-3-7(6-12)4-8(9,10)5-11(7)2;1-2/h12H,3-6H2,1-2H3;1-2H3
InChIKeyITKRCZPYKZHIBN-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (CID 170771705) is ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is CC.CCC1(CO)CC(F)(F)CN1C.
What is the InChIKey of ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is ITKRCZPYKZHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2H6/c1-3-7(6-12)4-8(9,10)5-11(7)2;1-2/h12H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol has a molecular weight of 209.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 170771705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).