(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one

C18H14F2O — CID 134949108

IUPAC(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
SMILESO=C(C[C@@H](C#Cc1ccccc1)c1ccccc1)C(F)F
InChIInChI=1S/C18H14F2O/c19-18(20)17(21)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16,18H,13H2/t16-/m1/s1
InChIKeySVLSXXXLHHXPKJ-MRXNPFEDSA-N
MW284.31 g/mol
LogP4.05
Rot. Bonds4

About (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one

(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one (PubChem CID 134949108) has the molecular formula C18H14F2O and a molecular weight of 284.31 g/mol. Its IUPAC name is (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one.

Molecular Properties

Compound Name(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
PubChem CID134949108
Molecular FormulaC18H14F2O
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
SMILESO=C(C[C@@H](C#Cc1ccccc1)c1ccccc1)C(F)F
InChIInChI=1S/C18H14F2O/c19-18(20)17(21)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16,18H,13H2/t16-/m1/s1
InChIKeySVLSXXXLHHXPKJ-MRXNPFEDSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
(4R)-6-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylhex-5-yn-2-one
CID 162539706
1,4,6-triphenylhex-5-yn-1-one
CID 166443450
(4R)-4-(3-bromophenyl)-1,1,1-trifluoro-6-phenylhex-5-yn-2-one
CID 162539698
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
3-amino-5-phenylpent-4-ynoic acid
CID 22602696
(5R)-5,7-diphenylhept-6-ynenitrile
CID 138911214
(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
CID 141145619
(4S)-4-methyl-6-phenylhex-5-yn-2-one
CID 138979864
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679
N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
CID 86086708

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one?
The IUPAC name of (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one (CID 134949108) is (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one.
What is the SMILES notation for (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one?
The canonical SMILES for (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one is O=C(C[C@@H](C#Cc1ccccc1)c1ccccc1)C(F)F.
What is the InChIKey of (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one?
The InChIKey is SVLSXXXLHHXPKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14F2O/c19-18(20)17(21)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16,18H,13H2/t16-/m1/s1.
What are the key properties of (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one?
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one has a molecular weight of 284.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one is sourced from PubChem (CID 134949108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).