1-(3-fluorohexyl)cyclohexan-1-ol

C12H23FO — CID 164685986

IUPAC1-(3-fluorohexyl)cyclohexan-1-ol
SMILESCCCC(F)CCC1(O)CCCCC1
InChIInChI=1S/C12H23FO/c1-2-6-11(13)7-10-12(14)8-4-3-5-9-12/h11,14H,2-10H2,1H3
InChIKeyNKLIINIPCNJNGL-UHFFFAOYSA-N
MW202.31 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-fluorohexyl)cyclohexan-1-ol

1-(3-fluorohexyl)cyclohexan-1-ol (PubChem CID 164685986) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 1-(3-fluorohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluorohexyl)cyclohexan-1-ol
PubChem CID164685986
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name1-(3-fluorohexyl)cyclohexan-1-ol
SMILESCCCC(F)CCC1(O)CCCCC1
InChIInChI=1S/C12H23FO/c1-2-6-11(13)7-10-12(14)8-4-3-5-9-12/h11,14H,2-10H2,1H3
InChIKeyNKLIINIPCNJNGL-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorohexyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-fluorohexyl)cyclohexan-1-ol (CID 164685986) is 1-(3-fluorohexyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluorohexyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-fluorohexyl)cyclohexan-1-ol is CCCC(F)CCC1(O)CCCCC1.
What is the InChIKey of 1-(3-fluorohexyl)cyclohexan-1-ol?
The InChIKey is NKLIINIPCNJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-2-6-11(13)7-10-12(14)8-4-3-5-9-12/h11,14H,2-10H2,1H3.
What are the key properties of 1-(3-fluorohexyl)cyclohexan-1-ol?
1-(3-fluorohexyl)cyclohexan-1-ol has a molecular weight of 202.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorohexyl)cyclohexan-1-ol is sourced from PubChem (CID 164685986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).