1,1,7,7-tetrafluoroheptane

C7H12F4 — CID 87478513

IUPAC1,1,7,7-tetrafluoroheptane
SMILESFC(F)CCCCCC(F)F
InChIInChI=1S/C7H12F4/c8-6(9)4-2-1-3-5-7(10)11/h6-7H,1-5H2
InChIKeyFXFKMPSTPWKVJW-UHFFFAOYSA-N
MW172.16 g/mol
LogP3.47
Rot. Bonds6

About 1,1,7,7-tetrafluoroheptane

1,1,7,7-tetrafluoroheptane (PubChem CID 87478513) has the molecular formula C7H12F4 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1,1,7,7-tetrafluoroheptane.

Molecular Properties

Compound Name1,1,7,7-tetrafluoroheptane
PubChem CID87478513
Molecular FormulaC7H12F4
Molecular Weight172.16 g/mol
Exact Mass172.09
IUPAC Name1,1,7,7-tetrafluoroheptane
SMILESFC(F)CCCCCC(F)F
InChIInChI=1S/C7H12F4/c8-6(9)4-2-1-3-5-7(10)11/h6-7H,1-5H2
InChIKeyFXFKMPSTPWKVJW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12,12-difluorododecane-1-sulfonic acid
CID 134206753
1,1-difluoro-6,6-dimethylheptane
CID 162546967
azanium 6,6-difluorohexane-1-sulfonate
CID 134207381
9,9-difluoro-N'-hydroxynonanimidamide
CID 156800054
1,1-difluoro-10-(trifluoromethylperoxy)decane
CID 151870662
2-(6,6-difluorohexylsilyl)ethyl-trifluorosilane
CID 154510768
6-(7,7-difluoroheptylsilyl)hexyl-trifluorosilane
CID 154510816
1,1-difluoro-10-(trifluoromethoxymethoxy)decane
CID 150180569
methyl 11,11-difluoroundecanoate
CID 121008047
8,8-difluorooctane-1-sulfonate;dimethylazanium
CID 134207248
2-fluorohenicosane
CID 91354486
3-bromo-1,1-difluorononane
CID 24977728

Frequently Asked Questions

What is the IUPAC name of 1,1,7,7-tetrafluoroheptane?
The IUPAC name of 1,1,7,7-tetrafluoroheptane (CID 87478513) is 1,1,7,7-tetrafluoroheptane.
What is the SMILES notation for 1,1,7,7-tetrafluoroheptane?
The canonical SMILES for 1,1,7,7-tetrafluoroheptane is FC(F)CCCCCC(F)F.
What is the InChIKey of 1,1,7,7-tetrafluoroheptane?
The InChIKey is FXFKMPSTPWKVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4/c8-6(9)4-2-1-3-5-7(10)11/h6-7H,1-5H2.
What are the key properties of 1,1,7,7-tetrafluoroheptane?
1,1,7,7-tetrafluoroheptane has a molecular weight of 172.16 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7,7-tetrafluoroheptane is sourced from PubChem (CID 87478513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).