(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol

C12H13F3O2 — CID 11207330

IUPAC(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol
SMILESO[C@@H](COCc1ccccc1)CC(F)=C(F)F
InChIInChI=1S/C12H13F3O2/c13-11(12(14)15)6-10(16)8-17-7-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2/t10-/m1/s1
InChIKeyZVZXQZZGAQRKKA-SNVBAGLBSA-N
MW246.23 g/mol
LogP3.03
Rot. Bonds6

About (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol

(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol (PubChem CID 11207330) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol
PubChem CID11207330
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol
SMILESO[C@@H](COCc1ccccc1)CC(F)=C(F)F
InChIInChI=1S/C12H13F3O2/c13-11(12(14)15)6-10(16)8-17-7-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2/t10-/m1/s1
InChIKeyZVZXQZZGAQRKKA-SNVBAGLBSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172760983
CID 172760983
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
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(2S)-1,4-bis(phenylmethoxy)butan-2-ol
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(3S)-3-hydroxy-4-phenylmethoxybutanehydrazide
CID 54516558
(E,5S)-3-methyl-6-phenylmethoxyhex-2-ene-1,5-diol
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1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166

Frequently Asked Questions

What is the IUPAC name of (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol (CID 11207330) is (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol is O[C@@H](COCc1ccccc1)CC(F)=C(F)F.
What is the InChIKey of (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol?
The InChIKey is ZVZXQZZGAQRKKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-11(12(14)15)6-10(16)8-17-7-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2/t10-/m1/s1.
What are the key properties of (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol?
(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol has a molecular weight of 246.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 11207330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).