3-fluoro-5-methylhexan-1-ol

C7H15FO — CID 54215071

IUPAC3-fluoro-5-methylhexan-1-ol
SMILESCC(C)CC(F)CCO
InChIInChI=1S/C7H15FO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5H2,1-2H3
InChIKeyPYPHAVDIBSBUBX-UHFFFAOYSA-N
MW134.19 g/mol
LogP1.75
Rot. Bonds4

About 3-fluoro-5-methylhexan-1-ol

3-fluoro-5-methylhexan-1-ol (PubChem CID 54215071) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 3-fluoro-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-fluoro-5-methylhexan-1-ol
PubChem CID54215071
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name3-fluoro-5-methylhexan-1-ol
SMILESCC(C)CC(F)CCO
InChIInChI=1S/C7H15FO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5H2,1-2H3
InChIKeyPYPHAVDIBSBUBX-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-1-hexanol
CID 12331
2-Methylhexanol
CID 43858
(2R)-2-Methylhexan-1-OL
CID 11959769
(2S)-2-Methyl-1-hexanol
CID 12454404
2,5-Dimethylhexan-1-ol
CID 13525937
2-Methyl-hexandiol-1,6
CID 22222806
(2S,3R)-2-fluoro-5-methylhexane-1,3-diol
CID 134933849
(2S,3R)-3-fluoro-5-methylhexane-1,2-diol
CID 134995934
(2R)-2-methylhexane-1,6-diol
CID 10313153
2-(Trifluoromethyl)hexan-1-ol
CID 10261518
5-Fluoro-5-methylhexan-1-ol
CID 10630533
(2S)-2,5-dimethylhexan-1-ol
CID 13525938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methylhexan-1-ol?
The IUPAC name of 3-fluoro-5-methylhexan-1-ol (CID 54215071) is 3-fluoro-5-methylhexan-1-ol.
What is the SMILES notation for 3-fluoro-5-methylhexan-1-ol?
The canonical SMILES for 3-fluoro-5-methylhexan-1-ol is CC(C)CC(F)CCO.
What is the InChIKey of 3-fluoro-5-methylhexan-1-ol?
The InChIKey is PYPHAVDIBSBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-5-methylhexan-1-ol?
3-fluoro-5-methylhexan-1-ol has a molecular weight of 134.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylhexan-1-ol is sourced from PubChem (CID 54215071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).