5-(difluoromethyl)-3-methyloctane

C10H20F2 — CID 154668237

IUPAC5-(difluoromethyl)-3-methyloctane
SMILESCCCC(CC(C)CC)C(F)F
InChIInChI=1S/C10H20F2/c1-4-6-9(10(11)12)7-8(3)5-2/h8-10H,4-7H2,1-3H3
InChIKeyXEPYVQLWIQDFQV-UHFFFAOYSA-N
MW178.27 g/mol
LogP4.10
Rot. Bonds6

About 5-(difluoromethyl)-3-methyloctane

5-(difluoromethyl)-3-methyloctane (PubChem CID 154668237) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyloctane.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyloctane
PubChem CID154668237
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name5-(difluoromethyl)-3-methyloctane
SMILESCCCC(CC(C)CC)C(F)F
InChIInChI=1S/C10H20F2/c1-4-6-9(10(11)12)7-8(3)5-2/h8-10H,4-7H2,1-3H3
InChIKeyXEPYVQLWIQDFQV-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(difluoromethyl)-5-methylheptane
CID 139354696
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
tris(3,4-diethylheptane);methane
CID 160558798
(4R)-2,4-dimethylhexane;methane
CID 157133469
ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
CID 142337955
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
5-butan-2-yl-3-methyldecane
CID 123136840
3,6-dimethyl-8-propan-2-yl-9-propyldodecane
CID 142338262
5-ethyl-3,6,8-trimethyldecane
CID 173141656
7-ethyl-3,6-dimethyldecane
CID 57491785

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyloctane?
The IUPAC name of 5-(difluoromethyl)-3-methyloctane (CID 154668237) is 5-(difluoromethyl)-3-methyloctane.
What is the SMILES notation for 5-(difluoromethyl)-3-methyloctane?
The canonical SMILES for 5-(difluoromethyl)-3-methyloctane is CCCC(CC(C)CC)C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-methyloctane?
The InChIKey is XEPYVQLWIQDFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-4-6-9(10(11)12)7-8(3)5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-3-methyloctane?
5-(difluoromethyl)-3-methyloctane has a molecular weight of 178.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyloctane is sourced from PubChem (CID 154668237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).