(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol

C7H15FO — CID 126592685

IUPAC(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](C)[C@](C)(O)F
InChIInChI=1S/C7H15FO/c1-5(2)6(3)7(4,8)9/h5-6,9H,1-4H3/t6-,7-/m0/s1
InChIKeyHJFGBVLSKJVVOX-BQBZGAKWSA-N
MW134.19 g/mol
LogP1.96
Rot. Bonds2

About (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol

(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol (PubChem CID 126592685) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
PubChem CID126592685
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](C)[C@](C)(O)F
InChIInChI=1S/C7H15FO/c1-5(2)6(3)7(4,8)9/h5-6,9H,1-4H3/t6-,7-/m0/s1
InChIKeyHJFGBVLSKJVVOX-BQBZGAKWSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trimethylhexane-2,3-diol
CID 67159638
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
(3R)-2-amino-3,4,4-trimethylpentan-2-ol
CID 139473324
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2-cyclopropyl-3,4-dimethylpentan-2-ol
CID 130647257
2,3,3,4,5-pentamethylhexane
CID 21040423
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol?
The IUPAC name of (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol (CID 126592685) is (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol.
What is the SMILES notation for (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol?
The canonical SMILES for (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol is CC(C)[C@H](C)[C@](C)(O)F.
What is the InChIKey of (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol?
The InChIKey is HJFGBVLSKJVVOX-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15FO/c1-5(2)6(3)7(4,8)9/h5-6,9H,1-4H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol?
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol has a molecular weight of 134.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 126592685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).