difluoromethanol;1-methylpyrrolidine

C6H13F2NO — CID 172576990

IUPACdifluoromethanol;1-methylpyrrolidine
SMILESCN1CCCC1.OC(F)F
InChIInChI=1S/C5H11N.CH2F2O/c1-6-4-2-3-5-6;2-1(3)4/h2-5H2,1H3;1,4H
InChIKeyFBMXMRXVHDSFCO-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.91
Rot. Bonds

About difluoromethanol;1-methylpyrrolidine

difluoromethanol;1-methylpyrrolidine (PubChem CID 172576990) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is difluoromethanol;1-methylpyrrolidine.

Molecular Properties

Compound Namedifluoromethanol;1-methylpyrrolidine
PubChem CID172576990
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Namedifluoromethanol;1-methylpyrrolidine
SMILESCN1CCCC1.OC(F)F
InChIInChI=1S/C5H11N.CH2F2O/c1-6-4-2-3-5-6;2-1(3)4/h2-5H2,1H3;1,4H
InChIKeyFBMXMRXVHDSFCO-UHFFFAOYSA-N
XLogP0.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
CID 172772830
CID 172772830
ethane;bis(1-methylpyrrolidine)
CID 153385238
ethane;methanol;1-methylazepane
CID 171650925
ethane;1-methylazonane
CID 145157770
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
methane;tris(1-methylpiperidine)
CID 162076357
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
CID 68772535
CID 68772535
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773

Frequently Asked Questions

What is the IUPAC name of difluoromethanol;1-methylpyrrolidine?
The IUPAC name of difluoromethanol;1-methylpyrrolidine (CID 172576990) is difluoromethanol;1-methylpyrrolidine.
What is the SMILES notation for difluoromethanol;1-methylpyrrolidine?
The canonical SMILES for difluoromethanol;1-methylpyrrolidine is CN1CCCC1.OC(F)F.
What is the InChIKey of difluoromethanol;1-methylpyrrolidine?
The InChIKey is FBMXMRXVHDSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2F2O/c1-6-4-2-3-5-6;2-1(3)4/h2-5H2,1H3;1,4H.
What are the key properties of difluoromethanol;1-methylpyrrolidine?
difluoromethanol;1-methylpyrrolidine has a molecular weight of 153.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethanol;1-methylpyrrolidine is sourced from PubChem (CID 172576990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).