(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C9H14FNO2 — CID 131223606

IUPAC(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CC1F
InChIInChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3/t6-,7?,9?/m1/s1
InChIKeyCWNLAJOJRVCMDR-SXJRXYEXSA-N
MW187.21 g/mol
LogP0.33
Rot. Bonds1

About (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 131223606) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID131223606
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CC1F
InChIInChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3/t6-,7?,9?/m1/s1
InChIKeyCWNLAJOJRVCMDR-SXJRXYEXSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
Cyclopropyl-[3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556859
cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556860
Cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556916
cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556917
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
CID 122536246
1-[(3R,4R)-3-fluoro-4-hydroxy-pyrrolidin-1-yl]ethanone
CID 122536254
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 122536398
Rac-trans-cyclopropyl(3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl)methanone
CID 131744788
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267389

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 131223606) is (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CC1(C(=O)N2CC[C@@H](O)C2)CC1F.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is CWNLAJOJRVCMDR-SXJRXYEXSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3/t6-,7?,9?/m1/s1.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 187.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 131223606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).