3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol

C14H17F3O2 — CID 115797020

IUPAC3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3O2/c15-11-6-5-10(13(16)14(11)17)12(18)7-4-9-3-1-2-8-19-9/h5-6,9,12,18H,1-4,7-8H2
InChIKeyUQDNBMXYSIWNCX-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.49
Rot. Bonds4

About 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol

3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 115797020) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID115797020
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3O2/c15-11-6-5-10(13(16)14(11)17)12(18)7-4-9-3-1-2-8-19-9/h5-6,9,12,18H,1-4,7-8H2
InChIKeyUQDNBMXYSIWNCX-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
CID 63952380
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol (CID 115797020) is 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol is OC(CCC1CCCCO1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is UQDNBMXYSIWNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c15-11-6-5-10(13(16)14(11)17)12(18)7-4-9-3-1-2-8-19-9/h5-6,9,12,18H,1-4,7-8H2.
What are the key properties of 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 115797020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).