1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine

C7H12Cl2FN — CID 131212065

IUPAC1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)C1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2FN/c1-5(11-3-2-10)6-4-7(6,8)9/h5-6,11H,2-4H2,1H3
InChIKeyZAMYBBWHEPHRHX-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.13
Rot. Bonds4

About 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine

1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine (PubChem CID 131212065) has the molecular formula C7H12Cl2FN and a molecular weight of 200.08 g/mol. Its IUPAC name is 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
PubChem CID131212065
Molecular FormulaC7H12Cl2FN
Molecular Weight200.08 g/mol
Exact Mass199.03
IUPAC Name1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)C1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2FN/c1-5(11-3-2-10)6-4-7(6,8)9/h5-6,11H,2-4H2,1H3
InChIKeyZAMYBBWHEPHRHX-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
(1S)-N-(2-fluoroethyl)-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 59526811
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
CID 90020083
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
CID 146435893
4,4-difluoro-N-(2-fluoroethyl)butan-2-amine
CID 130643475
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
CID 118207124
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
CID 125477604
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine (CID 131212065) is 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine is CC(NCCF)C1CC1(Cl)Cl.
What is the InChIKey of 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is ZAMYBBWHEPHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2FN/c1-5(11-3-2-10)6-4-7(6,8)9/h5-6,11H,2-4H2,1H3.
What are the key properties of 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine?
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 200.08 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 131212065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).