1-fluorohexan-2-ol

C6H13FO — CID 11819078

IUPAC1-fluorohexan-2-ol
SMILESCCCCC(O)CF
InChIInChI=1S/C6H13FO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyWQTSDVJCKPGHHF-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.51
Rot. Bonds4

About 1-fluorohexan-2-ol

1-fluorohexan-2-ol (PubChem CID 11819078) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluorohexan-2-ol.

Molecular Properties

Compound Name1-fluorohexan-2-ol
PubChem CID11819078
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluorohexan-2-ol
SMILESCCCCC(O)CF
InChIInChI=1S/C6H13FO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyWQTSDVJCKPGHHF-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;heptan-3-ol;yttrium
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heptan-2-ol;heptan-3-ol
CID 156500296
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582
icosane-5,10-diol
CID 170722579
nonane-3,5-diol;scandium
CID 164810293
octadecane-2,14-diol
CID 170722506
icosan-3-ol
CID 14940768

Frequently Asked Questions

What is the IUPAC name of 1-fluorohexan-2-ol?
The IUPAC name of 1-fluorohexan-2-ol (CID 11819078) is 1-fluorohexan-2-ol.
What is the SMILES notation for 1-fluorohexan-2-ol?
The canonical SMILES for 1-fluorohexan-2-ol is CCCCC(O)CF.
What is the InChIKey of 1-fluorohexan-2-ol?
The InChIKey is WQTSDVJCKPGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-fluorohexan-2-ol?
1-fluorohexan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexan-2-ol is sourced from PubChem (CID 11819078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).