ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone

C11H20FNO — CID 170766986

IUPACethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC.CC1CCN(C(=O)C2(F)CC2)C1
InChIInChI=1S/C9H14FNO.C2H6/c1-7-2-5-11(6-7)8(12)9(10)3-4-9;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyQTVDCNCPHPKSQR-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds1

About ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone

ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 170766986) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID170766986
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Nameethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC.CC1CCN(C(=O)C2(F)CC2)C1
InChIInChI=1S/C9H14FNO.C2H6/c1-7-2-5-11(6-7)8(12)9(10)3-4-9;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyQTVDCNCPHPKSQR-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 130747822
(1-methoxycyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 169181474
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177054013
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 130667579
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
CID 177202749
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845

Frequently Asked Questions

What is the IUPAC name of ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone (CID 170766986) is ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone is CC.CC1CCN(C(=O)C2(F)CC2)C1.
What is the InChIKey of ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QTVDCNCPHPKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO.C2H6/c1-7-2-5-11(6-7)8(12)9(10)3-4-9;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone?
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 201.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 170766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).