(4,4-difluoro-1-methoxycyclohexyl)methanol

C8H14F2O2 — CID 155822587

IUPAC(4,4-difluoro-1-methoxycyclohexyl)methanol
SMILESCOC1(CO)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3
InChIKeyPHEDJMGVBWCARD-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.57
Rot. Bonds2

About (4,4-difluoro-1-methoxycyclohexyl)methanol

(4,4-difluoro-1-methoxycyclohexyl)methanol (PubChem CID 155822587) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is (4,4-difluoro-1-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1-methoxycyclohexyl)methanol
PubChem CID155822587
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name(4,4-difluoro-1-methoxycyclohexyl)methanol
SMILESCOC1(CO)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3
InChIKeyPHEDJMGVBWCARD-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methoxycyclohexyl)methanol?
The IUPAC name of (4,4-difluoro-1-methoxycyclohexyl)methanol (CID 155822587) is (4,4-difluoro-1-methoxycyclohexyl)methanol.
What is the SMILES notation for (4,4-difluoro-1-methoxycyclohexyl)methanol?
The canonical SMILES for (4,4-difluoro-1-methoxycyclohexyl)methanol is COC1(CO)CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoro-1-methoxycyclohexyl)methanol?
The InChIKey is PHEDJMGVBWCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3.
What are the key properties of (4,4-difluoro-1-methoxycyclohexyl)methanol?
(4,4-difluoro-1-methoxycyclohexyl)methanol has a molecular weight of 180.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methoxycyclohexyl)methanol is sourced from PubChem (CID 155822587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).