6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane

C25H51F — CID 141008707

IUPAC6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane
SMILESCCCCC(CC(C)C)(C(C)CC)C(F)(CC)C(CC)(CCC)C(C)C
InChIInChI=1S/C25H51F/c1-11-16-18-24(19-20(6)7,22(10)13-3)25(26,15-5)23(14-4,17-12-2)21(8)9/h20-22H,11-19H2,1-10H3
InChIKeyOGDHDOCWQQWQFK-UHFFFAOYSA-N
MW370.68 g/mol
LogP9.23
Rot. Bonds14

About 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane

6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane (PubChem CID 141008707) has the molecular formula C25H51F and a molecular weight of 370.68 g/mol. Its IUPAC name is 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane.

Molecular Properties

Compound Name6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane
PubChem CID141008707
Molecular FormulaC25H51F
Molecular Weight370.68 g/mol
Exact Mass370.40
IUPAC Name6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane
SMILESCCCCC(CC(C)C)(C(C)CC)C(F)(CC)C(CC)(CCC)C(C)C
InChIInChI=1S/C25H51F/c1-11-16-18-24(19-20(6)7,22(10)13-3)25(26,15-5)23(14-4,17-12-2)21(8)9/h20-22H,11-19H2,1-10H3
InChIKeyOGDHDOCWQQWQFK-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-1-iodo-2-methylpropane;1,1-difluoro-1-iodopentane
CID 175436112
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
2,4-dimethyl-4-propyloctane
CID 57491235
5-(2-methylpropyl)nonan-5-amine
CID 88761377
5-butan-2-yl-5-methylnonan-3-ol
CID 91506526
4-bromo-2-methyl-4-(2-methylpropyl)octane
CID 175058351
2-methyl-4,4,5,5,6-pentapropylnonane
CID 173297835
9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
CID 141081090
4,4-diethyl-3-methylheptane
CID 53425832
3,4-dimethyl-5-propan-2-yl-5-propylnonane
CID 173277226
5-fluoro-3-methylnonan-5-amine
CID 171524156
4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane?
The IUPAC name of 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane (CID 141008707) is 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane.
What is the SMILES notation for 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane?
The canonical SMILES for 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane is CCCCC(CC(C)C)(C(C)CC)C(F)(CC)C(CC)(CCC)C(C)C.
What is the InChIKey of 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane?
The InChIKey is OGDHDOCWQQWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51F/c1-11-16-18-24(19-20(6)7,22(10)13-3)25(26,15-5)23(14-4,17-12-2)21(8)9/h20-22H,11-19H2,1-10H3.
What are the key properties of 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane?
6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane has a molecular weight of 370.68 g/mol, XLogP of 9.23, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane is sourced from PubChem (CID 141008707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).