3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine

C11H18ClF2N — CID 130847494

IUPAC3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine
SMILESCC1CN(CC2CCCC2(F)F)CC1Cl
InChIInChI=1S/C11H18ClF2N/c1-8-5-15(7-10(8)12)6-9-3-2-4-11(9,13)14/h8-10H,2-7H2,1H3
InChIKeyIGUQEGHNJXQTNS-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine

3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine (PubChem CID 130847494) has the molecular formula C11H18ClF2N and a molecular weight of 237.72 g/mol. Its IUPAC name is 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine
PubChem CID130847494
Molecular FormulaC11H18ClF2N
Molecular Weight237.72 g/mol
Exact Mass237.11
IUPAC Name3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine
SMILESCC1CN(CC2CCCC2(F)F)CC1Cl
InChIInChI=1S/C11H18ClF2N/c1-8-5-15(7-10(8)12)6-9-3-2-4-11(9,13)14/h8-10H,2-7H2,1H3
InChIKeyIGUQEGHNJXQTNS-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.98
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

1-Tert-butyl-2-(2-chloroethyl)-4,4-difluoro-2-methylpyrrolidine
CID 175778889
2-(Chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine
CID 102784943
N-(2-chloroethyl)-N-(cyclopentylmethyl)-2,2-difluoroethanamine
CID 107487994
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylhexan-1-amine
CID 107488130
N-(2-chloroethyl)-N-(cyclopentylmethyl)-2,2,2-trifluoroethanamine
CID 107489013
N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 107489217
3-(2-Chloroethyl)-1-(4,4,4-trifluorobutyl)pyrrolidine
CID 114800590
2-(Chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine
CID 130487559
3-(Chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine
CID 130487561
3-Chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine
CID 130769976
3-Chloro-1-[(3,3-difluorocyclopentyl)methyl]-4-methylpyrrolidine
CID 130863623
4-Chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
CID 130878255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine?
The IUPAC name of 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine (CID 130847494) is 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine.
What is the SMILES notation for 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine?
The canonical SMILES for 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine is CC1CN(CC2CCCC2(F)F)CC1Cl.
What is the InChIKey of 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine?
The InChIKey is IGUQEGHNJXQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF2N/c1-8-5-15(7-10(8)12)6-9-3-2-4-11(9,13)14/h8-10H,2-7H2,1H3.
What are the key properties of 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine?
3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine has a molecular weight of 237.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2,2-difluorocyclopentyl)methyl]-4-methylpyrrolidine is sourced from PubChem (CID 130847494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).