1-(2,3,4,6-tetrafluorophenyl)propan-1-ol

C9H8F4O — CID 139965748

IUPAC1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-6(14)7-4(10)3-5(11)8(12)9(7)13/h3,6,14H,2H2,1H3
InChIKeyHGECTSQMNWGJKX-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol

1-(2,3,4,6-tetrafluorophenyl)propan-1-ol (PubChem CID 139965748) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
PubChem CID139965748
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-6(14)7-4(10)3-5(11)8(12)9(7)13/h3,6,14H,2H2,1H3
InChIKeyHGECTSQMNWGJKX-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
CID 139965756
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
CID 139965885
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
CID 173182286
CID 173182286
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol?
The IUPAC name of 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol (CID 139965748) is 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol?
The canonical SMILES for 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol is CCC(O)c1c(F)cc(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol?
The InChIKey is HGECTSQMNWGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-2-6(14)7-4(10)3-5(11)8(12)9(7)13/h3,6,14H,2H2,1H3.
What are the key properties of 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol?
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol has a molecular weight of 208.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6-tetrafluorophenyl)propan-1-ol is sourced from PubChem (CID 139965748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).