(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol

C8H17FO — CID 177129718

IUPAC(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
SMILESCC(C)[C@H](O)[C@@H](F)C(C)C
InChIInChI=1S/C8H17FO/c1-5(2)7(9)8(10)6(3)4/h5-8,10H,1-4H3/t7-,8-/m0/s1
InChIKeyLKMDWZFBHUMNRT-YUMQZZPRSA-N
MW148.22 g/mol
LogP2.00
Rot. Bonds3

About (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol

(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol (PubChem CID 177129718) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
PubChem CID177129718
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
SMILESCC(C)[C@H](O)[C@@H](F)C(C)C
InChIInChI=1S/C8H17FO/c1-5(2)7(9)8(10)6(3)4/h5-8,10H,1-4H3/t7-,8-/m0/s1
InChIKeyLKMDWZFBHUMNRT-YUMQZZPRSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755
(3R)-4-methylpentane-2,3-diol
CID 59911125
1-fluoroethanol;rutherfordium
CID 58987118
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
2,2,5-trimethylhexane-3,4-diol
CID 103456431
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
3-methyl-1-(methylamino)butane-1,2-diol
CID 20675823
4,5-dibromo-2-methylhexan-3-ol
CID 18921056
1,1-difluoroethane
CID 6368
1-hydroxyethylazanium tetrafluoroborate
CID 87299825
(2S,3R,4S,5S)-3-(18F)fluoro-2,4,5-trihydroxyhexanal
CID 172832084

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol (CID 177129718) is (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol is CC(C)[C@H](O)[C@@H](F)C(C)C.
What is the InChIKey of (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol?
The InChIKey is LKMDWZFBHUMNRT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17FO/c1-5(2)7(9)8(10)6(3)4/h5-8,10H,1-4H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol?
(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol has a molecular weight of 148.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol is sourced from PubChem (CID 177129718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).