1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane

C15H29F3 — CID 166897175

IUPAC1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane
SMILESCCCC(CC(C)CCC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C15H29F3/c1-6-7-14(11(2)3)10-12(4)8-9-13(5)15(16,17)18/h11-14H,6-10H2,1-5H3
InChIKeyLJKVPKVYJRWAQK-UHFFFAOYSA-N
MW266.39 g/mol
LogP6.06
Rot. Bonds8

About 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane

1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane (PubChem CID 166897175) has the molecular formula C15H29F3 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane
PubChem CID166897175
Molecular FormulaC15H29F3
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane
SMILESCCCC(CC(C)CCC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C15H29F3/c1-6-7-14(11(2)3)10-12(4)8-9-13(5)15(16,17)18/h11-14H,6-10H2,1-5H3
InChIKeyLJKVPKVYJRWAQK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 161476124
2,2-difluoro-5-propan-2-yloctane
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3,6-dimethyl-8-propan-2-yl-9-propyldodecane
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(3R)-3-ethyl-2-methylhexane
CID 59954424
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673
5-(difluoromethyl)-3-methyloctane
CID 154668237
ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
CID 142337955
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane?
The IUPAC name of 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane (CID 166897175) is 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane.
What is the SMILES notation for 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane?
The canonical SMILES for 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane is CCCC(CC(C)CCC(C)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane?
The InChIKey is LJKVPKVYJRWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3/c1-6-7-14(11(2)3)10-12(4)8-9-13(5)15(16,17)18/h11-14H,6-10H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane?
1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane has a molecular weight of 266.39 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane is sourced from PubChem (CID 166897175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).