(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine

C18H18FNO — CID 132596957

IUPAC(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine
SMILESCC(C)[C@]1(F)Cc2ccccc2N=C(c2ccccc2)O1
InChIInChI=1S/C18H18FNO/c1-13(2)18(19)12-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t18-/m0/s1
InChIKeyYDPNKEZGHWNRNL-SFHVURJKSA-N
MW283.35 g/mol
LogP4.66
Rot. Bonds2

About (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine

(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine (PubChem CID 132596957) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine.

Molecular Properties

Compound Name(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine
PubChem CID132596957
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine
SMILESCC(C)[C@]1(F)Cc2ccccc2N=C(c2ccccc2)O1
InChIInChI=1S/C18H18FNO/c1-13(2)18(19)12-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t18-/m0/s1
InChIKeyYDPNKEZGHWNRNL-SFHVURJKSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine?
The IUPAC name of (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine (CID 132596957) is (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine.
What is the SMILES notation for (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine?
The canonical SMILES for (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine is CC(C)[C@]1(F)Cc2ccccc2N=C(c2ccccc2)O1.
What is the InChIKey of (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine?
The InChIKey is YDPNKEZGHWNRNL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13(2)18(19)12-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine?
(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine has a molecular weight of 283.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine is sourced from PubChem (CID 132596957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).