(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol

C19H24FNO — CID 135004516

IUPAC(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol
SMILESCC(C)(F)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24FNO/c1-19(2,20)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,13-15H2,1-2H3/t18-/m1/s1
InChIKeyYCEDTGCUACLGST-GOSISDBHSA-N
MW301.41 g/mol
LogP3.80
Rot. Bonds7

About (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol

(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol (PubChem CID 135004516) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol
PubChem CID135004516
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol
SMILESCC(C)(F)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24FNO/c1-19(2,20)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,13-15H2,1-2H3/t18-/m1/s1
InChIKeyYCEDTGCUACLGST-GOSISDBHSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol?
The IUPAC name of (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol (CID 135004516) is (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol.
What is the SMILES notation for (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol?
The canonical SMILES for (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol is CC(C)(F)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol?
The InChIKey is YCEDTGCUACLGST-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24FNO/c1-19(2,20)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,13-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol?
(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol is sourced from PubChem (CID 135004516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).