(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol

C9H17F2NO — CID 166534101

IUPAC(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol
SMILESCCN1CC(F)(F)CC1(CC)CO
InChIInChI=1S/C9H17F2NO/c1-3-8(7-13)5-9(10,11)6-12(8)4-2/h13H,3-7H2,1-2H3
InChIKeyZJVCUASNKJETEP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds3

About (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol

(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol (PubChem CID 166534101) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol
PubChem CID166534101
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol
SMILESCCN1CC(F)(F)CC1(CC)CO
InChIInChI=1S/C9H17F2NO/c1-3-8(7-13)5-9(10,11)6-12(8)4-2/h13H,3-7H2,1-2H3
InChIKeyZJVCUASNKJETEP-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The IUPAC name of (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol (CID 166534101) is (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol.
What is the SMILES notation for (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The canonical SMILES for (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol is CCN1CC(F)(F)CC1(CC)CO.
What is the InChIKey of (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The InChIKey is ZJVCUASNKJETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-8(7-13)5-9(10,11)6-12(8)4-2/h13H,3-7H2,1-2H3.
What are the key properties of (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol?
(1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethyl-4,4-difluoropyrrolidin-2-yl)methanol is sourced from PubChem (CID 166534101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).