1,1-difluoro-4-propyloctane

C11H22F2 — CID 142584368

IUPAC1,1-difluoro-4-propyloctane
SMILESCCCCC(CCC)CCC(F)F
InChIInChI=1S/C11H22F2/c1-3-5-7-10(6-4-2)8-9-11(12)13/h10-11H,3-9H2,1-2H3
InChIKeyXUSMWDNEWXNRTC-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.64
Rot. Bonds8

About 1,1-difluoro-4-propyloctane

1,1-difluoro-4-propyloctane (PubChem CID 142584368) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,1-difluoro-4-propyloctane.

Molecular Properties

Compound Name1,1-difluoro-4-propyloctane
PubChem CID142584368
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name1,1-difluoro-4-propyloctane
SMILESCCCCC(CCC)CCC(F)F
InChIInChI=1S/C11H22F2/c1-3-5-7-10(6-4-2)8-9-11(12)13/h10-11H,3-9H2,1-2H3
InChIKeyXUSMWDNEWXNRTC-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
(5R)-2-methyl-5-propylnonane
CID 162842430
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
ethane;2-methyl-5-propylnonane
CID 171073854
4,5-dipropylnonane;5-propylnonane
CID 157465342
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
6-propyltetracosane
CID 91039357
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-propyloctane?
The IUPAC name of 1,1-difluoro-4-propyloctane (CID 142584368) is 1,1-difluoro-4-propyloctane.
What is the SMILES notation for 1,1-difluoro-4-propyloctane?
The canonical SMILES for 1,1-difluoro-4-propyloctane is CCCCC(CCC)CCC(F)F.
What is the InChIKey of 1,1-difluoro-4-propyloctane?
The InChIKey is XUSMWDNEWXNRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-3-5-7-10(6-4-2)8-9-11(12)13/h10-11H,3-9H2,1-2H3.
What are the key properties of 1,1-difluoro-4-propyloctane?
1,1-difluoro-4-propyloctane has a molecular weight of 192.29 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-propyloctane is sourced from PubChem (CID 142584368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).