ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol

C12H24FNO2 — CID 176926700

IUPACethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESCC.COC1CN(CC2(CO)CC2)CC1F
InChIInChI=1S/C10H18FNO2.C2H6/c1-14-9-5-12(4-8(9)11)6-10(7-13)2-3-10;1-2/h8-9,13H,2-7H2,1H3;1-2H3
InChIKeyPRLJZNNTKJREAF-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.45
Rot. Bonds4

About ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol

ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 176926700) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID176926700
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Nameethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESCC.COC1CN(CC2(CO)CC2)CC1F
InChIInChI=1S/C10H18FNO2.C2H6/c1-14-9-5-12(4-8(9)11)6-10(7-13)2-3-10;1-2/h8-9,13H,2-7H2,1H3;1-2H3
InChIKeyPRLJZNNTKJREAF-UHFFFAOYSA-N
XLogP1.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926296
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
CID 177216803
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 155348589
ethane;(1S,5R)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 177009993
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 170926422
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol (CID 176926700) is ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol is CC.COC1CN(CC2(CO)CC2)CC1F.
What is the InChIKey of ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is PRLJZNNTKJREAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2.C2H6/c1-14-9-5-12(4-8(9)11)6-10(7-13)2-3-10;1-2/h8-9,13H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol?
ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 233.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 176926700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).