(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride

C10H11ClF3N — CID 171209919

IUPAC(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)c(F)cc1F)C1CC1
InChIInChI=1S/C10H10F3N.ClH/c11-7-4-9(13)8(12)3-6(7)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m1./s1
InChIKeyVPOMGKUMFKJLGT-HNCPQSOCSA-N
MW237.65 g/mol
LogP2.94
Rot. Bonds2

About (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride

(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride (PubChem CID 171209919) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
PubChem CID171209919
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)c(F)cc1F)C1CC1
InChIInChI=1S/C10H10F3N.ClH/c11-7-4-9(13)8(12)3-6(7)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m1./s1
InChIKeyVPOMGKUMFKJLGT-HNCPQSOCSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.94
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

2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
CID 55274847
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(1R,2S)-2-amino-1-cyclobutyl-2-(2,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161583
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride (CID 171209919) is (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cc(F)c(F)cc1F)C1CC1.
What is the InChIKey of (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride?
The InChIKey is VPOMGKUMFKJLGT-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H10F3N.ClH/c11-7-4-9(13)8(12)3-6(7)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m1./s1.
What are the key properties of (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride?
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride has a molecular weight of 237.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171209919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).