trifluoro(1-hydroxyundec-10-enyl)boranuide

C11H21BF3O- — CID 135002996

IUPACtrifluoro(1-hydroxyundec-10-enyl)boranuide
SMILESC=CCCCCCCCCC(O)[B-](F)(F)F
InChIInChI=1S/C11H21BF3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/q-1
InChIKeyUQYSLKCYBNEENN-UHFFFAOYSA-N
MW237.09 g/mol
LogP4.04
Rot. Bonds10

About trifluoro(1-hydroxyundec-10-enyl)boranuide

trifluoro(1-hydroxyundec-10-enyl)boranuide (PubChem CID 135002996) has the molecular formula C11H21BF3O- and a molecular weight of 237.09 g/mol. Its IUPAC name is trifluoro(1-hydroxyundec-10-enyl)boranuide.

Molecular Properties

Compound Nametrifluoro(1-hydroxyundec-10-enyl)boranuide
PubChem CID135002996
Molecular FormulaC11H21BF3O-
Molecular Weight237.09 g/mol
Exact Mass237.16
IUPAC Nametrifluoro(1-hydroxyundec-10-enyl)boranuide
SMILESC=CCCCCCCCCC(O)[B-](F)(F)F
InChIInChI=1S/C11H21BF3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/q-1
InChIKeyUQYSLKCYBNEENN-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro(1-hydroxyundec-10-enyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
dec-9-ene-2,3-diol
CID 107008756
1,1,1-trifluorooct-7-en-2-ol
CID 54303988
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
2-dec-9-enylpropane-1,3-diol
CID 135271441
4-hydroxydodec-11-enoic acid
CID 139805445
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
methyl (2R)-2-methylnon-8-enoate
CID 58289580

Frequently Asked Questions

What is the IUPAC name of trifluoro(1-hydroxyundec-10-enyl)boranuide?
The IUPAC name of trifluoro(1-hydroxyundec-10-enyl)boranuide (CID 135002996) is trifluoro(1-hydroxyundec-10-enyl)boranuide.
What is the SMILES notation for trifluoro(1-hydroxyundec-10-enyl)boranuide?
The canonical SMILES for trifluoro(1-hydroxyundec-10-enyl)boranuide is C=CCCCCCCCCC(O)[B-](F)(F)F.
What is the InChIKey of trifluoro(1-hydroxyundec-10-enyl)boranuide?
The InChIKey is UQYSLKCYBNEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BF3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/q-1.
What are the key properties of trifluoro(1-hydroxyundec-10-enyl)boranuide?
trifluoro(1-hydroxyundec-10-enyl)boranuide has a molecular weight of 237.09 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1-hydroxyundec-10-enyl)boranuide is sourced from PubChem (CID 135002996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).