1,1,1-trifluoro-6-methyl-4-propylheptane

C11H21F3 — CID 162503503

IUPAC1,1,1-trifluoro-6-methyl-4-propylheptane
SMILESCCCC(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C11H21F3/c1-4-5-10(8-9(2)3)6-7-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyHTTXZZVPXCHNAL-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.79
Rot. Bonds6

About 1,1,1-trifluoro-6-methyl-4-propylheptane

1,1,1-trifluoro-6-methyl-4-propylheptane (PubChem CID 162503503) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methyl-4-propylheptane.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methyl-4-propylheptane
PubChem CID162503503
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,1,1-trifluoro-6-methyl-4-propylheptane
SMILESCCCC(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C11H21F3/c1-4-5-10(8-9(2)3)6-7-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyHTTXZZVPXCHNAL-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
CID 162503458
2,4-dimethyl-6-propylnonane
CID 57492214
4-ethyl-2-methylheptane;methane
CID 160575103
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
ethane;6-methyl-4-propylheptanenitrile
CID 177048602
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
5-ethyl-2,2-difluorooctane
CID 144565046
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
ethane;pentan-2-ol;1,1,1-trifluorobutane
CID 143009498
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
6-butyl-4,8-dipropylundecane
CID 158410657

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methyl-4-propylheptane?
The IUPAC name of 1,1,1-trifluoro-6-methyl-4-propylheptane (CID 162503503) is 1,1,1-trifluoro-6-methyl-4-propylheptane.
What is the SMILES notation for 1,1,1-trifluoro-6-methyl-4-propylheptane?
The canonical SMILES for 1,1,1-trifluoro-6-methyl-4-propylheptane is CCCC(CCC(F)(F)F)CC(C)C.
What is the InChIKey of 1,1,1-trifluoro-6-methyl-4-propylheptane?
The InChIKey is HTTXZZVPXCHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-4-5-10(8-9(2)3)6-7-11(12,13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-6-methyl-4-propylheptane?
1,1,1-trifluoro-6-methyl-4-propylheptane has a molecular weight of 210.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methyl-4-propylheptane is sourced from PubChem (CID 162503503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).