(2S,3R)-2-fluoro-3-methylhexane

C7H15F — CID 142291573

IUPAC(2S,3R)-2-fluoro-3-methylhexane
SMILESCCC[C@@H](C)[C@H](C)F
InChIInChI=1S/C7H15F/c1-4-5-6(2)7(3)8/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyLJLUYPBDCXAYGW-RQJHMYQMSA-N
MW118.20 g/mol
LogP2.78
Rot. Bonds3

About (2S,3R)-2-fluoro-3-methylhexane

(2S,3R)-2-fluoro-3-methylhexane (PubChem CID 142291573) has the molecular formula C7H15F and a molecular weight of 118.20 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-methylhexane.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-methylhexane
PubChem CID142291573
Molecular FormulaC7H15F
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name(2S,3R)-2-fluoro-3-methylhexane
SMILESCCC[C@@H](C)[C@H](C)F
InChIInChI=1S/C7H15F/c1-4-5-6(2)7(3)8/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyLJLUYPBDCXAYGW-RQJHMYQMSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
3-fluoro-2,2,4-trimethylheptane
CID 123271530
(3R)-3,4-dimethylheptane
CID 59819300
1,1,2-trifluoro-3-methylhexan-1-ol
CID 89339704
3-fluoro-2,4-dimethylhept-1-ene
CID 145493748
1,1-difluorobutane;ethane
CID 164925096
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
(2R)-3-methylhexan-2-ol
CID 88692749
(1,1-difluoro-3-methylhexan-2-yl)hydrazine
CID 107895304
(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane
CID 174284172
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
3-bromo-2,4-dimethylheptane
CID 79298351

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-3-methylhexane?
The IUPAC name of (2S,3R)-2-fluoro-3-methylhexane (CID 142291573) is (2S,3R)-2-fluoro-3-methylhexane.
What is the SMILES notation for (2S,3R)-2-fluoro-3-methylhexane?
The canonical SMILES for (2S,3R)-2-fluoro-3-methylhexane is CCC[C@@H](C)[C@H](C)F.
What is the InChIKey of (2S,3R)-2-fluoro-3-methylhexane?
The InChIKey is LJLUYPBDCXAYGW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15F/c1-4-5-6(2)7(3)8/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-fluoro-3-methylhexane?
(2S,3R)-2-fluoro-3-methylhexane has a molecular weight of 118.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-methylhexane is sourced from PubChem (CID 142291573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).