4,4-bis(fluoromethyl)cyclohexan-1-ol

C8H14F2O — CID 90016387

IUPAC4,4-bis(fluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(CF)(CF)CC1
InChIInChI=1S/C8H14F2O/c9-5-8(6-10)3-1-7(11)2-4-8/h7,11H,1-6H2
InChIKeyBZLBESLVDBZMJG-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.85
Rot. Bonds2

About 4,4-bis(fluoromethyl)cyclohexan-1-ol

4,4-bis(fluoromethyl)cyclohexan-1-ol (PubChem CID 90016387) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 4,4-bis(fluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-bis(fluoromethyl)cyclohexan-1-ol
PubChem CID90016387
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name4,4-bis(fluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(CF)(CF)CC1
InChIInChI=1S/C8H14F2O/c9-5-8(6-10)3-1-7(11)2-4-8/h7,11H,1-6H2
InChIKeyBZLBESLVDBZMJG-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(fluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4,4-bis(fluoromethyl)cyclohexan-1-ol (CID 90016387) is 4,4-bis(fluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-bis(fluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-bis(fluoromethyl)cyclohexan-1-ol is OC1CCC(CF)(CF)CC1.
What is the InChIKey of 4,4-bis(fluoromethyl)cyclohexan-1-ol?
The InChIKey is BZLBESLVDBZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c9-5-8(6-10)3-1-7(11)2-4-8/h7,11H,1-6H2.
What are the key properties of 4,4-bis(fluoromethyl)cyclohexan-1-ol?
4,4-bis(fluoromethyl)cyclohexan-1-ol has a molecular weight of 164.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(fluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 90016387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).