cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine

C10H9Cl2F2N — CID 165352725

IUPACcyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine
SMILESNC(c1c(F)c(Cl)cc(F)c1Cl)C1CC1
InChIInChI=1S/C10H9Cl2F2N/c11-5-3-6(13)8(12)7(9(5)14)10(15)4-1-2-4/h3-4,10H,1-2,15H2
InChIKeyYVWCHOOYOLLNRT-UHFFFAOYSA-N
MW252.09 g/mol
LogP3.68
Rot. Bonds2

About cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine

cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine (PubChem CID 165352725) has the molecular formula C10H9Cl2F2N and a molecular weight of 252.09 g/mol. Its IUPAC name is cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine
PubChem CID165352725
Molecular FormulaC10H9Cl2F2N
Molecular Weight252.09 g/mol
Exact Mass251.01
IUPAC Namecyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine
SMILESNC(c1c(F)c(Cl)cc(F)c1Cl)C1CC1
InChIInChI=1S/C10H9Cl2F2N/c11-5-3-6(13)8(12)7(9(5)14)10(15)4-1-2-4/h3-4,10H,1-2,15H2
InChIKeyYVWCHOOYOLLNRT-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
(S)-(2-chloro-3,6-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242784
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
CID 171209273

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine?
The IUPAC name of cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine (CID 165352725) is cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine.
What is the SMILES notation for cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine?
The canonical SMILES for cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine is NC(c1c(F)c(Cl)cc(F)c1Cl)C1CC1.
What is the InChIKey of cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine?
The InChIKey is YVWCHOOYOLLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2N/c11-5-3-6(13)8(12)7(9(5)14)10(15)4-1-2-4/h3-4,10H,1-2,15H2.
What are the key properties of cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine?
cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine has a molecular weight of 252.09 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine is sourced from PubChem (CID 165352725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).