[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride

C6H12ClF2NO — CID 155895039

IUPAC[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCC1C(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5-2-9-1-4(5)3-10;/h4-6,9-10H,1-3H2;1H
InChIKeyMQTHVRFUFUWJMA-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.50
Rot. Bonds2

About [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride

[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 155895039) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID155895039
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCC1C(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5-2-9-1-4(5)3-10;/h4-6,9-10H,1-3H2;1H
InChIKeyMQTHVRFUFUWJMA-UHFFFAOYSA-N
XLogP0.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
3-(difluoromethyl)-4-ethylpiperidine
CID 105432137
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
(3S,4R)-3-(difluoromethyl)-4-ethynylpyrrolidine;hydrochloride
CID 172899217
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 70306574
(3S,4R)-3,4-bis(fluoromethyl)pyrrolidine;hydrochloride
CID 121210458

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 155895039) is [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OCC1CNCC1C(F)F.
What is the InChIKey of [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is MQTHVRFUFUWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)5-2-9-1-4(5)3-10;/h4-6,9-10H,1-3H2;1H.
What are the key properties of [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
[4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 155895039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).