2,2-difluoro-5-propan-2-yloctane

C11H22F2 — CID 175620292

IUPAC2,2-difluoro-5-propan-2-yloctane
SMILESCCCC(CCC(C)(F)F)C(C)C
InChIInChI=1S/C11H22F2/c1-5-6-10(9(2)3)7-8-11(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyINMRMDOJBJLPCN-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.49
Rot. Bonds6

About 2,2-difluoro-5-propan-2-yloctane

2,2-difluoro-5-propan-2-yloctane (PubChem CID 175620292) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 2,2-difluoro-5-propan-2-yloctane.

Molecular Properties

Compound Name2,2-difluoro-5-propan-2-yloctane
PubChem CID175620292
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name2,2-difluoro-5-propan-2-yloctane
SMILESCCCC(CCC(C)(F)F)C(C)C
InChIInChI=1S/C11H22F2/c1-5-6-10(9(2)3)7-8-11(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyINMRMDOJBJLPCN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
CID 126844357
6,6-difluoro-2-methylheptan-3-amine
CID 126844363
5-ethyl-2,2-difluorooctane
CID 144565046
(3R)-3-ethyl-2-methylhexane
CID 59954424
(2R)-5,5-difluorohexan-2-amine
CID 156690161
2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
CID 158588329
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
5-propan-2-yloctan-2-ol
CID 123351457
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
4-propan-2-yldecane
CID 15038736
1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane
CID 166897175
4-methyl-4-pentyl-7-propan-2-yldec-2-enal
CID 90961678

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-propan-2-yloctane?
The IUPAC name of 2,2-difluoro-5-propan-2-yloctane (CID 175620292) is 2,2-difluoro-5-propan-2-yloctane.
What is the SMILES notation for 2,2-difluoro-5-propan-2-yloctane?
The canonical SMILES for 2,2-difluoro-5-propan-2-yloctane is CCCC(CCC(C)(F)F)C(C)C.
What is the InChIKey of 2,2-difluoro-5-propan-2-yloctane?
The InChIKey is INMRMDOJBJLPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-5-6-10(9(2)3)7-8-11(4,12)13/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-difluoro-5-propan-2-yloctane?
2,2-difluoro-5-propan-2-yloctane has a molecular weight of 192.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-propan-2-yloctane is sourced from PubChem (CID 175620292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).