(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride

C12H12ClF6N — CID 171228434

IUPAC(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H11F6N.ClH/c13-11(14,15)7-3-4-9(12(16,17)18)8(5-7)10(19)6-1-2-6;/h3-6,10H,1-2,19H2;1H/t10-;/m0./s1
InChIKeyDVLWMVHQJFTVKD-PPHPATTJSA-N
MW319.68 g/mol
LogP4.56
Rot. Bonds2

About (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride

(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride (PubChem CID 171228434) has the molecular formula C12H12ClF6N and a molecular weight of 319.68 g/mol. Its IUPAC name is (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
PubChem CID171228434
Molecular FormulaC12H12ClF6N
Molecular Weight319.68 g/mol
Exact Mass319.06
IUPAC Name(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H11F6N.ClH/c13-11(14,15)7-3-4-9(12(16,17)18)8(5-7)10(19)6-1-2-6;/h3-6,10H,1-2,19H2;1H/t10-;/m0./s1
InChIKeyDVLWMVHQJFTVKD-PPHPATTJSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249581
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
CID 104987940
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156

Frequently Asked Questions

What is the IUPAC name of (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride (CID 171228434) is (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride is Cl.N[C@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC1.
What is the InChIKey of (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The InChIKey is DVLWMVHQJFTVKD-PPHPATTJSA-N. The full InChI is InChI=1S/C12H11F6N.ClH/c13-11(14,15)7-3-4-9(12(16,17)18)8(5-7)10(19)6-1-2-6;/h3-6,10H,1-2,19H2;1H/t10-;/m0./s1.
What are the key properties of (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride has a molecular weight of 319.68 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 171228434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).