(2S,3R)-2-fluoro-3-methylheptan-1-ol

C8H17FO — CID 130653054

IUPAC(2S,3R)-2-fluoro-3-methylheptan-1-ol
SMILESCCCC[C@@H](C)[C@H](F)CO
InChIInChI=1S/C8H17FO/c1-3-4-5-7(2)8(9)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBXQICJHJDGUWNN-HTQZYQBOSA-N
MW148.22 g/mol
LogP2.14
Rot. Bonds5

About (2S,3R)-2-fluoro-3-methylheptan-1-ol

(2S,3R)-2-fluoro-3-methylheptan-1-ol (PubChem CID 130653054) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-methylheptan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-methylheptan-1-ol
PubChem CID130653054
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name(2S,3R)-2-fluoro-3-methylheptan-1-ol
SMILESCCCC[C@@H](C)[C@H](F)CO
InChIInChI=1S/C8H17FO/c1-3-4-5-7(2)8(9)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBXQICJHJDGUWNN-HTQZYQBOSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-6-methyldecane
CID 123598559
4-fluoro-3-methyloctane
CID 89416555
2-methylhexan-1-ol
CID 159157237
(2S,3S)-2,3-difluorohexan-1-ol
CID 57045572
1-fluoro-3-methylheptan-2-ol
CID 122599053
(2S,3S)-2-amino-3-methylicosan-1-ol
CID 118700758
5,6,14,15-tetramethylnonadecane
CID 123473711
3-fluoro-4-methylhexan-1-ol
CID 59089278
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
alumane;2,3-dimethylheptane
CID 174508099
(2S,3R)-2-fluoro-3-methylheptanal
CID 130628488

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-3-methylheptan-1-ol?
The IUPAC name of (2S,3R)-2-fluoro-3-methylheptan-1-ol (CID 130653054) is (2S,3R)-2-fluoro-3-methylheptan-1-ol.
What is the SMILES notation for (2S,3R)-2-fluoro-3-methylheptan-1-ol?
The canonical SMILES for (2S,3R)-2-fluoro-3-methylheptan-1-ol is CCCC[C@@H](C)[C@H](F)CO.
What is the InChIKey of (2S,3R)-2-fluoro-3-methylheptan-1-ol?
The InChIKey is BXQICJHJDGUWNN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-4-5-7(2)8(9)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2-fluoro-3-methylheptan-1-ol?
(2S,3R)-2-fluoro-3-methylheptan-1-ol has a molecular weight of 148.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-methylheptan-1-ol is sourced from PubChem (CID 130653054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).