(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane

C9H19F — CID 153412007

IUPAC(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
SMILESCC(C)CC[C@@H](C)[C@H](C)[18F]
InChIInChI=1S/C9H19F/c1-7(2)5-6-8(3)9(4)10/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1/i10-1
InChIKeyMLIWWNZCKOAXAA-LQPBCJROSA-N
MW145.25 g/mol
LogP3.42
Rot. Bonds4

About (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane

(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane (PubChem CID 153412007) has the molecular formula C9H19F and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane.

Molecular Properties

Compound Name(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
PubChem CID153412007
Molecular FormulaC9H19F
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
SMILESCC(C)CC[C@@H](C)[C@H](C)[18F]
InChIInChI=1S/C9H19F/c1-7(2)5-6-8(3)9(4)10/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1/i10-1
InChIKeyMLIWWNZCKOAXAA-LQPBCJROSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
2,8-dimethylnonan-5-amine
CID 15030000
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
3,4,7-trimethyloct-1-yne
CID 123163898
2-methoxy-5,6,9-trimethyldecane
CID 144623899
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
1,1-difluoro-4,5-dimethylhexane
CID 137419857

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane?
The IUPAC name of (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane (CID 153412007) is (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane.
What is the SMILES notation for (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane?
The canonical SMILES for (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane is CC(C)CC[C@@H](C)[C@H](C)[18F].
What is the InChIKey of (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane?
The InChIKey is MLIWWNZCKOAXAA-LQPBCJROSA-N. The full InChI is InChI=1S/C9H19F/c1-7(2)5-6-8(3)9(4)10/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1/i10-1.
What are the key properties of (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane?
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane has a molecular weight of 145.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(18F)fluoro-3,6-dimethylheptane is sourced from PubChem (CID 153412007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).