[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride

C10H13ClF3NO — CID 156808519

IUPAC[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
SMILESC[C@@H](Oc1ccc(CN)cc1)C(F)(F)F.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(10(11,12)13)15-9-4-2-8(6-14)3-5-9;/h2-5,7H,6,14H2,1H3;1H/t7-;/m1./s1
InChIKeyOWYQCQFLBMSDFS-OGFXRTJISA-N
MW255.67 g/mol
LogP2.90
Rot. Bonds3

About [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride

[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride (PubChem CID 156808519) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
PubChem CID156808519
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
SMILESC[C@@H](Oc1ccc(CN)cc1)C(F)(F)F.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(10(11,12)13)15-9-4-2-8(6-14)3-5-9;/h2-5,7H,6,14H2,1H3;1H/t7-;/m1./s1
InChIKeyOWYQCQFLBMSDFS-OGFXRTJISA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
CID 66274601
[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
CID 66275408
[4-(trifluoromethylperoxy)phenyl]methanamine
CID 150309144
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
CID 59828878
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride (CID 156808519) is [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride is C[C@@H](Oc1ccc(CN)cc1)C(F)(F)F.Cl.
What is the InChIKey of [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride?
The InChIKey is OWYQCQFLBMSDFS-OGFXRTJISA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-7(10(11,12)13)15-9-4-2-8(6-14)3-5-9;/h2-5,7H,6,14H2,1H3;1H/t7-;/m1./s1.
What are the key properties of [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride?
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 156808519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).