(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride

C6H12ClF2NO — CID 118798634

IUPAC(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCC1(CO)CC(F)(F)CN1.Cl
InChIInChI=1S/C6H11F2NO.ClH/c1-5(4-10)2-6(7,8)3-9-5;/h9-10H,2-4H2,1H3;1H
InChIKeyNZMQOOPCYCKUGV-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.79
Rot. Bonds1

About (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride

(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride (PubChem CID 118798634) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride
PubChem CID118798634
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCC1(CO)CC(F)(F)CN1.Cl
InChIInChI=1S/C6H11F2NO.ClH/c1-5(4-10)2-6(7,8)3-9-5;/h9-10H,2-4H2,1H3;1H
InChIKeyNZMQOOPCYCKUGV-UHFFFAOYSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethylpyrrolidin-2-yl)methanol
CID 51072279
2-Methyl-2-pyrrolidinemethanol
CID 558401
((2S)-2-methylpyrrolidin-2-yl)methanol
CID 14223700
(2-(Hydroxymethyl)pyrrolidin-2-yl)methanol
CID 55287598
((2S,4R)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67293842
((2S,4S)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67295474
((2R)-4,4-difluoropyrrolidin-2-yl)methanol hydrochloride
CID 72207690
(S)-(4,4-Difluoropyrrolidin-2-yl)methanol hydrochloride
CID 74890069
(4,4-Difluoropyrrolidin-2-yl)methanol hydrochloride
CID 75481674
((2R)-2-methylpyrrolidin-2-yl)methanol hydrochloride
CID 91825932
[(2S,4S)-4-methylpyrrolidin-2-yl]methanol hydrochloride
CID 118798391
[(2R,4S)-4-fluoropyrrolidin-2-yl]methanol hydrochloride
CID 145708132

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride?
The IUPAC name of (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride (CID 118798634) is (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride is CC1(CO)CC(F)(F)CN1.Cl.
What is the InChIKey of (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride?
The InChIKey is NZMQOOPCYCKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c1-5(4-10)2-6(7,8)3-9-5;/h9-10H,2-4H2,1H3;1H.
What are the key properties of (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride?
(4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-2-methylpyrrolidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 118798634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).