[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol

C6H11F2NO2 — CID 122554867

IUPAC[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1C[C@@H](OC(F)F)CN1
InChIInChI=1S/C6H11F2NO2/c7-6(8)11-5-1-4(3-10)9-2-5/h4-6,9-10H,1-3H2/t4-,5-/m1/s1
InChIKeyYHXTZPCOUIWXPX-RFZPGFLSSA-N
MW167.15 g/mol
LogP-0.05
Rot. Bonds3

About [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol

[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol (PubChem CID 122554867) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
PubChem CID122554867
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1C[C@@H](OC(F)F)CN1
InChIInChI=1S/C6H11F2NO2/c7-6(8)11-5-1-4(3-10)9-2-5/h4-6,9-10H,1-3H2/t4-,5-/m1/s1
InChIKeyYHXTZPCOUIWXPX-RFZPGFLSSA-N
XLogP-0.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919
[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine
CID 97300367
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol;hydrochloride
CID 155531918
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882
bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate
CID 175141092
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
aziridin-2-ylmethanol
CID 11286436
5-(difluoromethoxy)piperidine-3-carboxylic acid
CID 130804723
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol (CID 122554867) is [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol is OC[C@H]1C[C@@H](OC(F)F)CN1.
What is the InChIKey of [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol?
The InChIKey is YHXTZPCOUIWXPX-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)11-5-1-4(3-10)9-2-5/h4-6,9-10H,1-3H2/t4-,5-/m1/s1.
What are the key properties of [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol?
[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol has a molecular weight of 167.15 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 122554867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).