1-fluoro-3-tridecoxypropan-2-ol

C16H33FO2 — CID 139708468

IUPAC1-fluoro-3-tridecoxypropan-2-ol
SMILESCCCCCCCCCCCCCOCC(O)CF
InChIInChI=1S/C16H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h16,18H,2-15H2,1H3
InChIKeyBDOWNZUIGUEGHI-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.64
Rot. Bonds15

About 1-fluoro-3-tridecoxypropan-2-ol

1-fluoro-3-tridecoxypropan-2-ol (PubChem CID 139708468) has the molecular formula C16H33FO2 and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-fluoro-3-tridecoxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-tridecoxypropan-2-ol
PubChem CID139708468
Molecular FormulaC16H33FO2
Molecular Weight276.44 g/mol
Exact Mass276.25
IUPAC Name1-fluoro-3-tridecoxypropan-2-ol
SMILESCCCCCCCCCCCCCOCC(O)CF
InChIInChI=1S/C16H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h16,18H,2-15H2,1H3
InChIKeyBDOWNZUIGUEGHI-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.64
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

1-fluoro-3-nonoxypropan-2-ol
CID 139708466
(2R)-1-fluoro-3-pentoxypropan-2-ol
CID 55250339
1-icosoxybutan-2-ol
CID 58176389
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1,4-dioctoxybutan-2-ol
CID 91047029
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
1-amino-3-heptoxypropan-2-ol
CID 43128013
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-tridecoxypropan-2-ol?
The IUPAC name of 1-fluoro-3-tridecoxypropan-2-ol (CID 139708468) is 1-fluoro-3-tridecoxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-tridecoxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-tridecoxypropan-2-ol is CCCCCCCCCCCCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-tridecoxypropan-2-ol?
The InChIKey is BDOWNZUIGUEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h16,18H,2-15H2,1H3.
What are the key properties of 1-fluoro-3-tridecoxypropan-2-ol?
1-fluoro-3-tridecoxypropan-2-ol has a molecular weight of 276.44 g/mol, XLogP of 4.64, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-tridecoxypropan-2-ol is sourced from PubChem (CID 139708468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).