3-methyl-3-(trifluoromethyl)heptane

C9H17F3 — CID 142541633

IUPAC3-methyl-3-(trifluoromethyl)heptane
SMILESCCCCC(C)(CC)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-4-6-7-8(3,5-2)9(10,11)12/h4-7H2,1-3H3
InChIKeyLCNMYYQOZAJVLK-UHFFFAOYSA-N
MW182.23 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-3-(trifluoromethyl)heptane

3-methyl-3-(trifluoromethyl)heptane (PubChem CID 142541633) has the molecular formula C9H17F3 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)heptane
PubChem CID142541633
Molecular FormulaC9H17F3
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name3-methyl-3-(trifluoromethyl)heptane
SMILESCCCCC(C)(CC)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-4-6-7-8(3,5-2)9(10,11)12/h4-7H2,1-3H3
InChIKeyLCNMYYQOZAJVLK-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-4,5,5-trimethylnonane
CID 57492041
ethane;2-fluoro-2-methylhexane
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3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
5,5-difluorononane
CID 21410163
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
13-tert-butyl-13-methylpentacosane
CID 91013833
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
iron(3+);1,1,1-trifluoropentane
CID 161198772
4,4-bis(trifluoromethyl)octane
CID 162621098
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
(5,6-dibutyl-6-methyldecan-5-yl)azanium hydroxide
CID 87346379
2,2-dimethylhexane
CID 169424592

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethyl)heptane?
The IUPAC name of 3-methyl-3-(trifluoromethyl)heptane (CID 142541633) is 3-methyl-3-(trifluoromethyl)heptane.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)heptane?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)heptane is CCCCC(C)(CC)C(F)(F)F.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)heptane?
The InChIKey is LCNMYYQOZAJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3/c1-4-6-7-8(3,5-2)9(10,11)12/h4-7H2,1-3H3.
What are the key properties of 3-methyl-3-(trifluoromethyl)heptane?
3-methyl-3-(trifluoromethyl)heptane has a molecular weight of 182.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)heptane is sourced from PubChem (CID 142541633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).