(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol

C19H19F3O2 — CID 15856347

IUPAC(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)C(F)(F)[C@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3O2/c1-2-6-17(23)19(21,22)18(15-9-11-16(20)12-10-15)24-13-14-7-4-3-5-8-14/h2-5,7-12,17-18,23H,1,6,13H2/t17-,18-/m1/s1
InChIKeyAZSNZWRELBRHJP-QZTJIDSGSA-N
MW336.35 g/mol
LogP4.66
Rot. Bonds8

About (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol

(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol (PubChem CID 15856347) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol.

Molecular Properties

Compound Name(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
PubChem CID15856347
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)C(F)(F)[C@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3O2/c1-2-6-17(23)19(21,22)18(15-9-11-16(20)12-10-15)24-13-14-7-4-3-5-8-14/h2-5,7-12,17-18,23H,1,6,13H2/t17-,18-/m1/s1
InChIKeyAZSNZWRELBRHJP-QZTJIDSGSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
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CID 25018953
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate
CID 10925783
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
CID 139665547
1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
CID 155933930
(1-but-3-enoxy-2,2,2-trifluoroethyl)benzene
CID 3560123
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
CID 142400351

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol?
The IUPAC name of (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol (CID 15856347) is (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol.
What is the SMILES notation for (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol?
The canonical SMILES for (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol is C=CC[C@@H](O)C(F)(F)[C@H](OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol?
The InChIKey is AZSNZWRELBRHJP-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-2-6-17(23)19(21,22)18(15-9-11-16(20)12-10-15)24-13-14-7-4-3-5-8-14/h2-5,7-12,17-18,23H,1,6,13H2/t17-,18-/m1/s1.
What are the key properties of (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol?
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol has a molecular weight of 336.35 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol is sourced from PubChem (CID 15856347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).