1-fluoro-5-phenylmethoxypentan-2-ol

C12H17FO2 — CID 14003295

IUPAC1-fluoro-5-phenylmethoxypentan-2-ol
SMILESOC(CF)CCCOCc1ccccc1
InChIInChI=1S/C12H17FO2/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyTULONYCSROVQCY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds7

About 1-fluoro-5-phenylmethoxypentan-2-ol

1-fluoro-5-phenylmethoxypentan-2-ol (PubChem CID 14003295) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-fluoro-5-phenylmethoxypentan-2-ol.

Molecular Properties

Compound Name1-fluoro-5-phenylmethoxypentan-2-ol
PubChem CID14003295
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-fluoro-5-phenylmethoxypentan-2-ol
SMILESOC(CF)CCCOCc1ccccc1
InChIInChI=1S/C12H17FO2/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyTULONYCSROVQCY-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-phenylmethoxypentan-2-ol?
The IUPAC name of 1-fluoro-5-phenylmethoxypentan-2-ol (CID 14003295) is 1-fluoro-5-phenylmethoxypentan-2-ol.
What is the SMILES notation for 1-fluoro-5-phenylmethoxypentan-2-ol?
The canonical SMILES for 1-fluoro-5-phenylmethoxypentan-2-ol is OC(CF)CCCOCc1ccccc1.
What is the InChIKey of 1-fluoro-5-phenylmethoxypentan-2-ol?
The InChIKey is TULONYCSROVQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2.
What are the key properties of 1-fluoro-5-phenylmethoxypentan-2-ol?
1-fluoro-5-phenylmethoxypentan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-phenylmethoxypentan-2-ol is sourced from PubChem (CID 14003295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).