(4-bromo-2-fluorocyclohexyl)methanol

C7H12BrFO — CID 89043075

IUPAC(4-bromo-2-fluorocyclohexyl)methanol
SMILESOCC1CCC(Br)CC1F
InChIInChI=1S/C7H12BrFO/c8-6-2-1-5(4-10)7(9)3-6/h5-7,10H,1-4H2
InChIKeyDUUXOTFLJJLJDP-UHFFFAOYSA-N
MW211.07 g/mol
LogP1.88
Rot. Bonds1

About (4-bromo-2-fluorocyclohexyl)methanol

(4-bromo-2-fluorocyclohexyl)methanol (PubChem CID 89043075) has the molecular formula C7H12BrFO and a molecular weight of 211.07 g/mol. Its IUPAC name is (4-bromo-2-fluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorocyclohexyl)methanol
PubChem CID89043075
Molecular FormulaC7H12BrFO
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name(4-bromo-2-fluorocyclohexyl)methanol
SMILESOCC1CCC(Br)CC1F
InChIInChI=1S/C7H12BrFO/c8-6-2-1-5(4-10)7(9)3-6/h5-7,10H,1-4H2
InChIKeyDUUXOTFLJJLJDP-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorocyclohexyl)methanol?
The IUPAC name of (4-bromo-2-fluorocyclohexyl)methanol (CID 89043075) is (4-bromo-2-fluorocyclohexyl)methanol.
What is the SMILES notation for (4-bromo-2-fluorocyclohexyl)methanol?
The canonical SMILES for (4-bromo-2-fluorocyclohexyl)methanol is OCC1CCC(Br)CC1F.
What is the InChIKey of (4-bromo-2-fluorocyclohexyl)methanol?
The InChIKey is DUUXOTFLJJLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrFO/c8-6-2-1-5(4-10)7(9)3-6/h5-7,10H,1-4H2.
What are the key properties of (4-bromo-2-fluorocyclohexyl)methanol?
(4-bromo-2-fluorocyclohexyl)methanol has a molecular weight of 211.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorocyclohexyl)methanol is sourced from PubChem (CID 89043075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).