1,1,1-trifluoro-2,3,3-trimethylheptane

C10H19F3 — CID 126723403

IUPAC1,1,1-trifluoro-2,3,3-trimethylheptane
SMILESCCCCC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C10H19F3/c1-5-6-7-9(3,4)8(2)10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyGIPMRAUIBLUSSA-UHFFFAOYSA-N
MW196.26 g/mol
LogP4.40
Rot. Bonds4

About 1,1,1-trifluoro-2,3,3-trimethylheptane

1,1,1-trifluoro-2,3,3-trimethylheptane (PubChem CID 126723403) has the molecular formula C10H19F3 and a molecular weight of 196.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3,3-trimethylheptane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3,3-trimethylheptane
PubChem CID126723403
Molecular FormulaC10H19F3
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name1,1,1-trifluoro-2,3,3-trimethylheptane
SMILESCCCCC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C10H19F3/c1-5-6-7-9(3,4)8(2)10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyGIPMRAUIBLUSSA-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4-trimethyloctan-3-ol
CID 57242612
ethane;2-fluoro-2-methylhexane
CID 142890341
7-(1,1,1-trifluoropropan-2-yl)tetradecane
CID 155261699
2,3,3-trimethyloctadecane
CID 90966938
ethane;2,3,3-trimethyloctane
CID 142049944
5,5-difluorononane
CID 21410163
3-ethyl-5,6,6-trimethyldecane
CID 123403358
2,3,3-trimethylheptane diisocyanate
CID 21266708
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
2,3,3-trimethylheptanoyl chloride
CID 134874376
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
iron(3+);1,1,1-trifluoropentane
CID 161198772

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3,3-trimethylheptane?
The IUPAC name of 1,1,1-trifluoro-2,3,3-trimethylheptane (CID 126723403) is 1,1,1-trifluoro-2,3,3-trimethylheptane.
What is the SMILES notation for 1,1,1-trifluoro-2,3,3-trimethylheptane?
The canonical SMILES for 1,1,1-trifluoro-2,3,3-trimethylheptane is CCCCC(C)(C)C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,3,3-trimethylheptane?
The InChIKey is GIPMRAUIBLUSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3/c1-5-6-7-9(3,4)8(2)10(11,12)13/h8H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2,3,3-trimethylheptane?
1,1,1-trifluoro-2,3,3-trimethylheptane has a molecular weight of 196.26 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,3,3-trimethylheptane is sourced from PubChem (CID 126723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).