cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine

C9H9ClFN — CID 39237826

IUPACcis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFN/c10-6-2-1-3-7(11)9(6)5-4-8(5)12/h1-3,5,8H,4,12H2/t5-,8+/m1/s1
InChIKeyOVXAANIGKVZHMA-XRGYYRRGSA-N
MW185.63 g/mol
LogP2.29
Rot. Bonds1

About cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine

cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine (PubChem CID 39237826) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine
PubChem CID39237826
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Namecis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFN/c10-6-2-1-3-7(11)9(6)5-4-8(5)12/h1-3,5,8H,4,12H2/t5-,8+/m1/s1
InChIKeyOVXAANIGKVZHMA-XRGYYRRGSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine (CID 39237826) is cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine is N[C@H]1C[C@H]1c1c(F)cccc1Cl.
What is the InChIKey of cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine?
The InChIKey is OVXAANIGKVZHMA-XRGYYRRGSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-2-1-3-7(11)9(6)5-4-8(5)12/h1-3,5,8H,4,12H2/t5-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine?
cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 39237826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).