CID 175569832

C5H9BF3O2 — CID 175569832

IUPAC—
SMILESFC1CC(F)C(F)C1.O[B]O
InChIInChI=1S/C5H7F3.BH2O2/c6-3-1-4(7)5(8)2-3;2-1-3/h3-5H,1-2H2;2-3H
InChIKeyREBGGWKQKPFQMS-UHFFFAOYSA-N
MW168.93 g/mol
LogP0.30
Rot. Bonds

About CID 175569832

CID 175569832 (PubChem CID 175569832) has the molecular formula C5H9BF3O2 and a molecular weight of 168.93 g/mol.

Molecular Properties

Compound NameCID 175569832
PubChem CID175569832
Molecular FormulaC5H9BF3O2
Molecular Weight168.93 g/mol
Exact Mass169.06
IUPAC Name—
SMILESFC1CC(F)C(F)C1.O[B]O
InChIInChI=1S/C5H7F3.BH2O2/c6-3-1-4(7)5(8)2-3;2-1-3/h3-5H,1-2H2;2-3H
InChIKeyREBGGWKQKPFQMS-UHFFFAOYSA-N
XLogP0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.93
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5R)-1-bromo-2,3,5-trifluorocyclohexane
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(3,4-difluorocyclopentyl)methanol
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1,3,5-trifluoro-2-methylidenecyclohexane
CID 123193679
(1S,2S,4R,5S)-4,5-difluoro-2-propan-2-ylcyclohexan-1-ol
CID 177300411
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
CID 89407524
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
2-chloro-4-fluorocyclopentan-1-ol
CID 174283039
[(2R,3R,5S)-3,5-difluoropiperidin-1-ium-2-yl]methanol chloride
CID 134827926
2,4,5-trifluorocyclohexane-1-thiol
CID 146493403
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977

Frequently Asked Questions

What is the IUPAC name of CID 175569832?
The IUPAC name of CID 175569832 (CID 175569832) is not available.
What is the SMILES notation for CID 175569832?
The canonical SMILES for CID 175569832 is FC1CC(F)C(F)C1.O[B]O.
What is the InChIKey of CID 175569832?
The InChIKey is REBGGWKQKPFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3.BH2O2/c6-3-1-4(7)5(8)2-3;2-1-3/h3-5H,1-2H2;2-3H.
What are the key properties of CID 175569832?
CID 175569832 has a molecular weight of 168.93 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175569832 is sourced from PubChem (CID 175569832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).