[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol

C7H13F2NO — CID 168881034

IUPAC[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCCC1(CO)C(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-2-3-7(10,5-11)6(8)9/h6,11H,2-5H2,1H3
InChIKeyMITVVJBJOXKWBI-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds2

About [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol

[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 168881034) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID168881034
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCCC1(CO)C(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-2-3-7(10,5-11)6(8)9/h6,11H,2-5H2,1H3
InChIKeyMITVVJBJOXKWBI-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol (CID 168881034) is [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol is CN1CCCC1(CO)C(F)F.
What is the InChIKey of [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is MITVVJBJOXKWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-4-2-3-7(10,5-11)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
[2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 168881034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).