2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol

C11H21FO — CID 80694968

IUPAC2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCF)C1
InChIInChI=1S/C11H21FO/c1-8(2)9-3-4-11(13)10(7-9)5-6-12/h8-11,13H,3-7H2,1-2H3
InChIKeyCWMNUKGIPUBVDJ-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.78
Rot. Bonds3

About 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol

2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 80694968) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID80694968
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCF)C1
InChIInChI=1S/C11H21FO/c1-8(2)9-3-4-11(13)10(7-9)5-6-12/h8-11,13H,3-7H2,1-2H3
InChIKeyCWMNUKGIPUBVDJ-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol (CID 80694968) is 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CCF)C1.
What is the InChIKey of 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is CWMNUKGIPUBVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-8(2)9-3-4-11(13)10(7-9)5-6-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol?
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 188.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 80694968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).