(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride

C12H14Cl2F3N — CID 171207653

IUPAC(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13ClF3N.ClH/c13-10-5-4-8(6-9(10)12(14,15)16)11(17)7-2-1-3-7;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeySPSFOKBNQHWJFJ-RFVHGSKJSA-N
MW300.15 g/mol
LogP4.58
Rot. Bonds2

About (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride

(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride (PubChem CID 171207653) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
PubChem CID171207653
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC Name(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13ClF3N.ClH/c13-10-5-4-8(6-9(10)12(14,15)16)11(17)7-2-1-3-7;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeySPSFOKBNQHWJFJ-RFVHGSKJSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1S,2R)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171265706
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(1R,2S)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171271379
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
CID 171209273
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
CID 171180022
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976

Frequently Asked Questions

What is the IUPAC name of (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride (CID 171207653) is (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CCC1.
What is the InChIKey of (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride?
The InChIKey is SPSFOKBNQHWJFJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H13ClF3N.ClH/c13-10-5-4-8(6-9(10)12(14,15)16)11(17)7-2-1-3-7;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride?
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride has a molecular weight of 300.15 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171207653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).