1-(4-chloro-2,6-difluorophenyl)pyrrolidine

C10H10ClF2N — CID 168512042

IUPAC1-(4-chloro-2,6-difluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc(F)c1N1CCCC1
InChIInChI=1S/C10H10ClF2N/c11-7-5-8(12)10(9(13)6-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyGPRRGVXFITXGTF-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.22
Rot. Bonds1

About 1-(4-chloro-2,6-difluorophenyl)pyrrolidine

1-(4-chloro-2,6-difluorophenyl)pyrrolidine (PubChem CID 168512042) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)pyrrolidine
PubChem CID168512042
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-(4-chloro-2,6-difluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc(F)c1N1CCCC1
InChIInChI=1S/C10H10ClF2N/c11-7-5-8(12)10(9(13)6-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyGPRRGVXFITXGTF-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3,6-difluorophenyl)pyrrolidine
CID 168513043
1-(4-chloro-2,6-difluorophenyl)-3,6-dihydro-2H-pyridine
CID 175450154
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 118904876
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
3-bromo-5-fluoro-4-piperidin-1-ylaniline
CID 84713585
(3S,4R)-6-(4-chloro-2,6-difluorophenyl)-4-fluoro-1-oxa-6-azaspiro[2.5]octane
CID 118905081
N-(3,5-difluoro-4-piperidin-1-ylphenyl)ethanesulfonamide
CID 91661194
3-[4-(azepan-1-yl)-3,5-difluorophenyl]prop-2-enoic acid
CID 76983576
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)pyrrolidine?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)pyrrolidine (CID 168512042) is 1-(4-chloro-2,6-difluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)pyrrolidine?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)pyrrolidine is Fc1cc(Cl)cc(F)c1N1CCCC1.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)pyrrolidine?
The InChIKey is GPRRGVXFITXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-7-5-8(12)10(9(13)6-7)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)pyrrolidine?
1-(4-chloro-2,6-difluorophenyl)pyrrolidine has a molecular weight of 217.65 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)pyrrolidine is sourced from PubChem (CID 168512042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).