(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol

C12H22FNO2 — CID 143806370

IUPAC(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol
SMILESC[C@H]1C(O)NC(CC2CCC(F)CC2)C1O
InChIInChI=1S/C12H22FNO2/c1-7-11(15)10(14-12(7)16)6-8-2-4-9(13)5-3-8/h7-12,14-16H,2-6H2,1H3/t7-,8?,9?,10?,11?,12?/m1/s1
InChIKeyUXHKZEINWHZZBZ-MZVDVCFISA-N
MW231.31 g/mol
LogP1.19
Rot. Bonds2

About (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol

(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol (PubChem CID 143806370) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol.

Molecular Properties

Compound Name(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol
PubChem CID143806370
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol
SMILESC[C@H]1C(O)NC(CC2CCC(F)CC2)C1O
InChIInChI=1S/C12H22FNO2/c1-7-11(15)10(14-12(7)16)6-8-2-4-9(13)5-3-8/h7-12,14-16H,2-6H2,1H3/t7-,8?,9?,10?,11?,12?/m1/s1
InChIKeyUXHKZEINWHZZBZ-MZVDVCFISA-N
XLogP1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol?
The IUPAC name of (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol (CID 143806370) is (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol.
What is the SMILES notation for (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol?
The canonical SMILES for (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol is C[C@H]1C(O)NC(CC2CCC(F)CC2)C1O.
What is the InChIKey of (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol?
The InChIKey is UXHKZEINWHZZBZ-MZVDVCFISA-N. The full InChI is InChI=1S/C12H22FNO2/c1-7-11(15)10(14-12(7)16)6-8-2-4-9(13)5-3-8/h7-12,14-16H,2-6H2,1H3/t7-,8?,9?,10?,11?,12?/m1/s1.
What are the key properties of (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol?
(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol has a molecular weight of 231.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol is sourced from PubChem (CID 143806370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).