(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane

C24H23ClF2N2 — CID 92569313

IUPAC(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
SMILESFc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1ccccc1F
InChIInChI=1S/C24H23ClF2N2/c25-21-11-4-1-8-18(21)16-28-14-7-15-29(17-19-9-2-5-12-22(19)26)24(28)20-10-3-6-13-23(20)27/h1-6,8-13,24H,7,14-17H2/t24-/m0/s1
InChIKeySSDCAKUVKGVSHH-DEOSSOPVSA-N
MW412.91 g/mol
LogP6.02
Rot. Bonds5

About (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane

(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane (PubChem CID 92569313) has the molecular formula C24H23ClF2N2 and a molecular weight of 412.91 g/mol. Its IUPAC name is (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
PubChem CID92569313
Molecular FormulaC24H23ClF2N2
Molecular Weight412.91 g/mol
Exact Mass412.15
IUPAC Name(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
SMILESFc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1ccccc1F
InChIInChI=1S/C24H23ClF2N2/c25-21-11-4-1-8-18(21)16-28-14-7-15-29(17-19-9-2-5-12-22(19)26)24(28)20-10-3-6-13-23(20)27/h1-6,8-13,24H,7,14-17H2/t24-/m0/s1
InChIKeySSDCAKUVKGVSHH-DEOSSOPVSA-N
XLogP6.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-diazinane
CID 92569468
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
CID 92569323
(2S)-1-[(2-chloro-4-fluorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane
CID 98463128
(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569454
(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569448
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 51855627
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane?
The IUPAC name of (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane (CID 92569313) is (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane.
What is the SMILES notation for (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane?
The canonical SMILES for (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane is Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane?
The InChIKey is SSDCAKUVKGVSHH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23ClF2N2/c25-21-11-4-1-8-18(21)16-28-14-7-15-29(17-19-9-2-5-12-22(19)26)24(28)20-10-3-6-13-23(20)27/h1-6,8-13,24H,7,14-17H2/t24-/m0/s1.
What are the key properties of (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane?
(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane has a molecular weight of 412.91 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 92569313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).