1,2-difluoro-4-methylheptane

C8H16F2 — CID 138528222

IUPAC1,2-difluoro-4-methylheptane
SMILESCCCC(C)CC(F)CF
InChIInChI=1S/C8H16F2/c1-3-4-7(2)5-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyPZYQVKQKGXFSJB-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.12
Rot. Bonds5

About 1,2-difluoro-4-methylheptane

1,2-difluoro-4-methylheptane (PubChem CID 138528222) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,2-difluoro-4-methylheptane.

Molecular Properties

Compound Name1,2-difluoro-4-methylheptane
PubChem CID138528222
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name1,2-difluoro-4-methylheptane
SMILESCCCC(C)CC(F)CF
InChIInChI=1S/C8H16F2/c1-3-4-7(2)5-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyPZYQVKQKGXFSJB-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-fluoro-7-methylundecane
CID 172587922
4-fluoro-2-methylheptane-1-thiol
CID 126602572
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
5-methyloctan-3-ol
CID 19931017
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
4,5,7-trimethyldecane
CID 57490926
3,5,7,9-tetramethyldodecane
CID 91047062
2,4,6,8,10-pentamethyltridecane
CID 20715673
4-methylheptane;propane
CID 142171269

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylheptane?
The IUPAC name of 1,2-difluoro-4-methylheptane (CID 138528222) is 1,2-difluoro-4-methylheptane.
What is the SMILES notation for 1,2-difluoro-4-methylheptane?
The canonical SMILES for 1,2-difluoro-4-methylheptane is CCCC(C)CC(F)CF.
What is the InChIKey of 1,2-difluoro-4-methylheptane?
The InChIKey is PZYQVKQKGXFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-3-4-7(2)5-8(10)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-difluoro-4-methylheptane?
1,2-difluoro-4-methylheptane has a molecular weight of 150.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylheptane is sourced from PubChem (CID 138528222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).