cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol

C8H14F2O — CID 121407303

IUPACcis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
SMILESCC[C@@H]1CC(F)(F)CC[C@H]1O
InChIInChI=1S/C8H14F2O/c1-2-6-5-8(9,10)4-3-7(6)11/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeySZSYLYUCWDFULQ-RNFRBKRXSA-N
MW164.19 g/mol
LogP2.19
Rot. Bonds1

About cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol

cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol (PubChem CID 121407303) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
PubChem CID121407303
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Namecis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
SMILESCC[C@@H]1CC(F)(F)CC[C@H]1O
InChIInChI=1S/C8H14F2O/c1-2-6-5-8(9,10)4-3-7(6)11/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeySZSYLYUCWDFULQ-RNFRBKRXSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol (CID 121407303) is cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol is CC[C@@H]1CC(F)(F)CC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol?
The InChIKey is SZSYLYUCWDFULQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F2O/c1-2-6-5-8(9,10)4-3-7(6)11/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol?
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol has a molecular weight of 164.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 121407303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).