[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

C10H15ClFNO — CID 131150903

IUPAC[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(CCl)C2)CC1F
InChIInChI=1S/C10H15ClFNO/c1-10(4-8(10)12)9(14)13-3-2-7(5-11)6-13/h7-8H,2-6H2,1H3
InChIKeyFWDXETPDMPICJC-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.82
Rot. Bonds2

About [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131150903) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131150903
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(CCl)C2)CC1F
InChIInChI=1S/C10H15ClFNO/c1-10(4-8(10)12)9(14)13-3-2-7(5-11)6-13/h7-8H,2-6H2,1H3
InChIKeyFWDXETPDMPICJC-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(Chloromethyl)-1-methylpyrrolidin-2-one
CID 130407993
1-[3-(Chloromethyl)pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 63395913
1-[3-(Chloromethyl)pyrrolidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 65715456
2-Chloro-1-(3-(fluoromethyl)pyrrolidin-1-yl)butan-1-one
CID 121200996
3-Chloro-1-(3-(fluoromethyl)pyrrolidin-1-yl)propan-1-one
CID 121200997
2-Chloro-1-(3-(difluoromethyl)pyrrolidin-1-yl)butan-1-one
CID 121201142
2-Chloro-1-(3-(trifluoromethyl)pyrrolidin-1-yl)butan-1-one
CID 121201185
(2S)-2-chloro-1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129499178
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129499180
(2R)-2-chloro-1-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129499181
(2S)-2-chloro-1-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129499183
(2R)-2-chloro-1-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129499235

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (CID 131150903) is [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(CCl)C2)CC1F.
What is the InChIKey of [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is FWDXETPDMPICJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFNO/c1-10(4-8(10)12)9(14)13-3-2-7(5-11)6-13/h7-8H,2-6H2,1H3.
What are the key properties of [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
[3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 219.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131150903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).