cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

C11H12ClF4N — CID 138986249

IUPACcyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H11F4N.ClH/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15;/h3-6,10H,1-2,16H2;1H
InChIKeyQCMMIFWNTCLOGL-UHFFFAOYSA-N
MW269.67 g/mol
LogP3.68
Rot. Bonds2

About cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 138986249) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID138986249
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Namecyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H11F4N.ClH/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15;/h3-6,10H,1-2,16H2;1H
InChIKeyQCMMIFWNTCLOGL-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105142128
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 138986249) is cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NC(c1cc(F)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is QCMMIFWNTCLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N.ClH/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15;/h3-6,10H,1-2,16H2;1H.
What are the key properties of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 269.67 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-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 138986249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).