(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane

C12H25F — CID 163585201

IUPAC(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
SMILESCCC[C@@H](CC(C)CC)C(C)(C)F
InChIInChI=1S/C12H25F/c1-6-8-11(12(4,5)13)9-10(3)7-2/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyGKXFGGAHRQIQME-DTIOYNMSSA-N
MW188.33 g/mol
LogP4.59
Rot. Bonds6

About (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane

(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane (PubChem CID 163585201) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane.

Molecular Properties

Compound Name(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
PubChem CID163585201
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Name(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
SMILESCCC[C@@H](CC(C)CC)C(C)(C)F
InChIInChI=1S/C12H25F/c1-6-8-11(12(4,5)13)9-10(3)7-2/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyGKXFGGAHRQIQME-DTIOYNMSSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-fluoropropan-2-yl)heptane
CID 143311381
2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
3-ethyl-2,2-difluorohexane
CID 155700319
3,7,7-trimethyl-6-(2-methylbutyl)decane
CID 90869140
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
5-tert-butyl-7-ethyl-3-methylundecane
CID 178132881
5-(difluoromethyl)-3-methyloctane
CID 154668237
3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
CID 105436305
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine
CID 89076021

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane?
The IUPAC name of (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane (CID 163585201) is (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane.
What is the SMILES notation for (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane?
The canonical SMILES for (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane is CCC[C@@H](CC(C)CC)C(C)(C)F.
What is the InChIKey of (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane?
The InChIKey is GKXFGGAHRQIQME-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25F/c1-6-8-11(12(4,5)13)9-10(3)7-2/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane?
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane has a molecular weight of 188.33 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-fluoropropan-2-yl)-3-methyloctane is sourced from PubChem (CID 163585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).