1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine

C9H8ClF2N — CID 84777571

IUPAC1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(F)c(Cl)c2F)CC1
InChIInChI=1S/C9H8ClF2N/c10-7-6(11)2-1-5(8(7)12)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyXCYJPOIFJMPHBT-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.57
Rot. Bonds1

About 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine

1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine (PubChem CID 84777571) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
PubChem CID84777571
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(F)c(Cl)c2F)CC1
InChIInChI=1S/C9H8ClF2N/c10-7-6(11)2-1-5(8(7)12)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyXCYJPOIFJMPHBT-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
3,3-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-amine
CID 80692559
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
CID 146523834
1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
CID 117330937
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine (CID 84777571) is 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine is NC1(c2ccc(F)c(Cl)c2F)CC1.
What is the InChIKey of 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine?
The InChIKey is XCYJPOIFJMPHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-7-6(11)2-1-5(8(7)12)9(13)3-4-9/h1-2H,3-4,13H2.
What are the key properties of 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine?
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine has a molecular weight of 203.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 84777571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).