(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane

C13H27F — CID 170941312

IUPAC(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
SMILESCCC[C@](C)(F)CC(C)C(CC)CC
InChIInChI=1S/C13H27F/c1-6-9-13(5,14)10-11(4)12(7-2)8-3/h11-12H,6-10H2,1-5H3/t11?,13-/m0/s1
InChIKeyBDDPBZFEKRFLKN-YUZLPWPTSA-N
MW202.36 g/mol
LogP4.98
Rot. Bonds7

About (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane

(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane (PubChem CID 170941312) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane.

Molecular Properties

Compound Name(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
PubChem CID170941312
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
SMILESCCC[C@](C)(F)CC(C)C(CC)CC
InChIInChI=1S/C13H27F/c1-6-9-13(5,14)10-11(4)12(7-2)8-3/h11-12H,6-10H2,1-5H3/t11?,13-/m0/s1
InChIKeyBDDPBZFEKRFLKN-YUZLPWPTSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 147184105
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
2-fluoro-2-methylpentan-1-amine
CID 84716027
3,4,6,7,7-pentamethyl-6-propan-2-yldecane
CID 123370123
2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
3-fluoro-3,5-dimethylheptane
CID 123257807
5-ethyl-2,2,6-trimethylnonane
CID 57492048
3,4-diethyl-5,5-dimethyloctane
CID 57492543
2,4-dimethylheptan-4-olate
CID 58624964
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
3,6,6-trimethyl-4-propyldecane
CID 173296569

Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane?
The IUPAC name of (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane (CID 170941312) is (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane.
What is the SMILES notation for (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane?
The canonical SMILES for (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane is CCC[C@](C)(F)CC(C)C(CC)CC.
What is the InChIKey of (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane?
The InChIKey is BDDPBZFEKRFLKN-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H27F/c1-6-9-13(5,14)10-11(4)12(7-2)8-3/h11-12H,6-10H2,1-5H3/t11?,13-/m0/s1.
What are the key properties of (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane?
(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane has a molecular weight of 202.36 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-6-fluoro-4,6-dimethylnonane is sourced from PubChem (CID 170941312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).