ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol

C10H22FNO — CID 177009844

IUPACethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCC.CC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C8H16FNO.C2H6/c1-3-8(6-11)4-7(9)5-10(8)2;1-2/h7,11H,3-6H2,1-2H3;1-2H3/t7-,8+;/m1./s1
InChIKeyNIYVJNVQROTJRK-WLYNEOFISA-N
MW191.29 g/mol
LogP1.83
Rot. Bonds2

About ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol

ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol (PubChem CID 177009844) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
PubChem CID177009844
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Nameethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCC.CC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C8H16FNO.C2H6/c1-3-8(6-11)4-7(9)5-10(8)2;1-2/h7,11H,3-6H2,1-2H3;1-2H3/t7-,8+;/m1./s1
InChIKeyNIYVJNVQROTJRK-WLYNEOFISA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 126997673
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508
[1-(2,2-Difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130634120
[1-(2-Fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130644994
[4-Fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 130709579
[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130757224
(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734

Frequently Asked Questions

What is the IUPAC name of ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol (CID 177009844) is ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol is CC.CC[C@@]1(CO)C[C@@H](F)CN1C.
What is the InChIKey of ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is NIYVJNVQROTJRK-WLYNEOFISA-N. The full InChI is InChI=1S/C8H16FNO.C2H6/c1-3-8(6-11)4-7(9)5-10(8)2;1-2/h7,11H,3-6H2,1-2H3;1-2H3/t7-,8+;/m1./s1.
What are the key properties of ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 191.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 177009844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).