1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine

C10H9ClF3N — CID 117007618

IUPAC1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine
SMILESFc1ccc(N2CCC(F)(F)C2)cc1Cl
InChIInChI=1S/C10H9ClF3N/c11-8-5-7(1-2-9(8)12)15-4-3-10(13,14)6-15/h1-2,5H,3-4,6H2
InChIKeyTZSHJAGHQNUPML-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.32
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine

1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine (PubChem CID 117007618) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine
PubChem CID117007618
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine
SMILESFc1ccc(N2CCC(F)(F)C2)cc1Cl
InChIInChI=1S/C10H9ClF3N/c11-8-5-7(1-2-9(8)12)15-4-3-10(13,14)6-15/h1-2,5H,3-4,6H2
InChIKeyTZSHJAGHQNUPML-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
2-chloro-4-(4,4-difluoropiperidin-1-yl)benzoic acid
CID 155908730
4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
CID 155026115
[4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]methanamine
CID 169489232
2-bromo-5-(3,3-difluoropyrrolidin-1-yl)benzonitrile
CID 86811052
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
1-(3-chloro-4-fluorophenyl)-7-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-3-(5-methylpyridazin-3-yl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 172538028
5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol
CID 168511371
(3S)-1-(4-chloro-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 155312513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine (CID 117007618) is 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine is Fc1ccc(N2CCC(F)(F)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine?
The InChIKey is TZSHJAGHQNUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-5-7(1-2-9(8)12)15-4-3-10(13,14)6-15/h1-2,5H,3-4,6H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine?
1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine has a molecular weight of 235.64 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 117007618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).