(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine

C12H13F4NO — CID 171208678

IUPAC(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)C1CC1
InChIInChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-9-5-3-8(4-6-9)10(17)7-1-2-7/h3-7,10-11H,1-2,17H2/t10-/m1/s1
InChIKeyULVHJCSWFONKKT-SNVBAGLBSA-N
MW263.23 g/mol
LogP3.33
Rot. Bonds5

About (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine

(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine (PubChem CID 171208678) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
PubChem CID171208678
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)C1CC1
InChIInChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-9-5-3-8(4-6-9)10(17)7-1-2-7/h3-7,10-11H,1-2,17H2/t10-/m1/s1
InChIKeyULVHJCSWFONKKT-SNVBAGLBSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.33
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

(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 104988082
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(1S)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
CID 91657136
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-amine
CID 171228248
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The IUPAC name of (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine (CID 171208678) is (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The canonical SMILES for (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine is N[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)C1CC1.
What is the InChIKey of (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The InChIKey is ULVHJCSWFONKKT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-9-5-3-8(4-6-9)10(17)7-1-2-7/h3-7,10-11H,1-2,17H2/t10-/m1/s1.
What are the key properties of (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine has a molecular weight of 263.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 171208678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).