1-(3-bromo-2,6-difluorophenyl)decan-1-ol

C16H23BrF2O — CID 106945067

IUPAC1-(3-bromo-2,6-difluorophenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-14(20)15-13(18)11-10-12(17)16(15)19/h10-11,14,20H,2-9H2,1H3
InChIKeyUUTOCXNFLKEMAS-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.90
Rot. Bonds9

About 1-(3-bromo-2,6-difluorophenyl)decan-1-ol

1-(3-bromo-2,6-difluorophenyl)decan-1-ol (PubChem CID 106945067) has the molecular formula C16H23BrF2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)decan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)decan-1-ol
PubChem CID106945067
Molecular FormulaC16H23BrF2O
Molecular Weight349.26 g/mol
Exact Mass348.09
IUPAC Name1-(3-bromo-2,6-difluorophenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-14(20)15-13(18)11-10-12(17)16(15)19/h10-11,14,20H,2-9H2,1H3
InChIKeyUUTOCXNFLKEMAS-UHFFFAOYSA-N
XLogP5.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-N-ethylheptan-1-amine
CID 106945022
(1R,2S)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol
CID 171262488
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171268162
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
CID 115783388
1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)decan-2-amine
CID 106274012
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)decan-1-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)decan-1-ol (CID 106945067) is 1-(3-bromo-2,6-difluorophenyl)decan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)decan-1-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)decan-1-ol is CCCCCCCCCC(O)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)decan-1-ol?
The InChIKey is UUTOCXNFLKEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-14(20)15-13(18)11-10-12(17)16(15)19/h10-11,14,20H,2-9H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)decan-1-ol?
1-(3-bromo-2,6-difluorophenyl)decan-1-ol has a molecular weight of 349.26 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)decan-1-ol is sourced from PubChem (CID 106945067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).