4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane

C11H19F5 — CID 87075252

IUPAC4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
SMILESCCC(C)(C)C(F)(F)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H19F5/c1-6-8(3,4)10(12,13)9(5,7-2)11(14,15)16/h6-7H2,1-5H3
InChIKeyLDBLGVPDMVRWJF-UHFFFAOYSA-N
MW246.26 g/mol
LogP5.04
Rot. Bonds4

About 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane

4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane (PubChem CID 87075252) has the molecular formula C11H19F5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane.

Molecular Properties

Compound Name4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
PubChem CID87075252
Molecular FormulaC11H19F5
Molecular Weight246.26 g/mol
Exact Mass246.14
IUPAC Name4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
SMILESCCC(C)(C)C(F)(F)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H19F5/c1-6-8(3,4)10(12,13)9(5,7-2)11(14,15)16/h6-7H2,1-5H3
InChIKeyLDBLGVPDMVRWJF-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.26
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
CID 162585423
3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine
CID 88947660
[2-ethyl-3,3-difluoro-2,4-dimethyl-4-(trifluoromethyl)hexyl] formate
CID 90266536
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
1-(3,3-difluoro-2,4,4-trimethylhexan-2-yl)-2,3,4,5,6-pentafluorobenzene
CID 89047086
(12S)-12-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,14,14-pentacosamethylhexadecane
CID 123648575
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
CID 90262453
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
CID 158342354
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
3,3,4,4,5,5-hexamethylheptane
CID 22899431

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane?
The IUPAC name of 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane (CID 87075252) is 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane.
What is the SMILES notation for 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane?
The canonical SMILES for 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane is CCC(C)(C)C(F)(F)C(C)(CC)C(F)(F)F.
What is the InChIKey of 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane?
The InChIKey is LDBLGVPDMVRWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5/c1-6-8(3,4)10(12,13)9(5,7-2)11(14,15)16/h6-7H2,1-5H3.
What are the key properties of 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane?
4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane has a molecular weight of 246.26 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane is sourced from PubChem (CID 87075252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).