(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine

C19H19F4NO2 — CID 59451838

IUPAC(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine
SMILESFc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN[C@@H]1CCOC1
InChIInChI=1S/C19H19F4NO2/c20-18-9-17(5-4-14(18)10-24-16-6-7-25-12-16)26-11-13-2-1-3-15(8-13)19(21,22)23/h1-5,8-9,16,24H,6-7,10-12H2/t16-/m1/s1
InChIKeyJRWNRDNXHZSCLE-MRXNPFEDSA-N
MW369.36 g/mol
LogP4.30
Rot. Bonds6

About (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine

(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine (PubChem CID 59451838) has the molecular formula C19H19F4NO2 and a molecular weight of 369.36 g/mol. Its IUPAC name is (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine
PubChem CID59451838
Molecular FormulaC19H19F4NO2
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC Name(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine
SMILESFc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN[C@@H]1CCOC1
InChIInChI=1S/C19H19F4NO2/c20-18-9-17(5-4-14(18)10-24-16-6-7-25-12-16)26-11-13-2-1-3-15(8-13)19(21,22)23/h1-5,8-9,16,24H,6-7,10-12H2/t16-/m1/s1
InChIKeyJRWNRDNXHZSCLE-MRXNPFEDSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine?
The IUPAC name of (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine (CID 59451838) is (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine?
The canonical SMILES for (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine is Fc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine?
The InChIKey is JRWNRDNXHZSCLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F4NO2/c20-18-9-17(5-4-14(18)10-24-16-6-7-25-12-16)26-11-13-2-1-3-15(8-13)19(21,22)23/h1-5,8-9,16,24H,6-7,10-12H2/t16-/m1/s1.
What are the key properties of (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine?
(3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine has a molecular weight of 369.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 59451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).