(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine

C18H17F6NO — CID 143472632

IUPAC(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine
SMILESCC(C)Oc1cc([C@@H](N)c2cc(F)cc(C(F)(F)C(F)F)c2)ccc1F
InChIInChI=1S/C18H17F6NO/c1-9(2)26-15-7-10(3-4-14(15)20)16(25)11-5-12(8-13(19)6-11)18(23,24)17(21)22/h3-9,16-17H,25H2,1-2H3/t16-/m1/s1
InChIKeyIFYUUFMZJPJXGT-MRXNPFEDSA-N
MW377.33 g/mol
LogP5.16
Rot. Bonds6

About (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine

(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine (PubChem CID 143472632) has the molecular formula C18H17F6NO and a molecular weight of 377.33 g/mol. Its IUPAC name is (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine
PubChem CID143472632
Molecular FormulaC18H17F6NO
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine
SMILESCC(C)Oc1cc([C@@H](N)c2cc(F)cc(C(F)(F)C(F)F)c2)ccc1F
InChIInChI=1S/C18H17F6NO/c1-9(2)26-15-7-10(3-4-14(15)20)16(25)11-5-12(8-13(19)6-11)18(23,24)17(21)22/h3-9,16-17H,25H2,1-2H3/t16-/m1/s1
InChIKeyIFYUUFMZJPJXGT-MRXNPFEDSA-N
XLogP5.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine?
The IUPAC name of (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine (CID 143472632) is (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine.
What is the SMILES notation for (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine?
The canonical SMILES for (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine is CC(C)Oc1cc([C@@H](N)c2cc(F)cc(C(F)(F)C(F)F)c2)ccc1F.
What is the InChIKey of (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine?
The InChIKey is IFYUUFMZJPJXGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F6NO/c1-9(2)26-15-7-10(3-4-14(15)20)16(25)11-5-12(8-13(19)6-11)18(23,24)17(21)22/h3-9,16-17H,25H2,1-2H3/t16-/m1/s1.
What are the key properties of (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine?
(R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine has a molecular weight of 377.33 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluoro-3-propan-2-yloxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanamine is sourced from PubChem (CID 143472632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).