(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride

C13H16ClF4NO — CID 171208551

IUPAC(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)(F)C(F)F)C1CCC1
InChIInChI=1S/C13H15F4NO.ClH/c14-12(15)13(16,17)19-10-7-2-1-6-9(10)11(18)8-4-3-5-8;/h1-2,6-8,11-12H,3-5,18H2;1H/t11-;/m1./s1
InChIKeyCYNPIRKVQGAESE-RFVHGSKJSA-N
MW313.72 g/mol
LogP4.14
Rot. Bonds5

About (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride

(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171208551) has the molecular formula C13H16ClF4NO and a molecular weight of 313.72 g/mol. Its IUPAC name is (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
PubChem CID171208551
Molecular FormulaC13H16ClF4NO
Molecular Weight313.72 g/mol
Exact Mass313.09
IUPAC Name(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)(F)C(F)F)C1CCC1
InChIInChI=1S/C13H15F4NO.ClH/c14-12(15)13(16,17)19-10-7-2-1-6-9(10)11(18)8-4-3-5-8;/h1-2,6-8,11-12H,3-5,18H2;1H/t11-;/m1./s1
InChIKeyCYNPIRKVQGAESE-RFVHGSKJSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847
1-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
CID 171255529
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171208529
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride (CID 171208551) is (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccccc1OC(F)(F)C(F)F)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is CYNPIRKVQGAESE-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H15F4NO.ClH/c14-12(15)13(16,17)19-10-7-2-1-6-9(10)11(18)8-4-3-5-8;/h1-2,6-8,11-12H,3-5,18H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride?
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 313.72 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171208551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).