7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane

C19H37F3 — CID 172743472

IUPAC7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
SMILESCCCCCCCCC(CCCCCC)C(C)(C)C(F)(F)F
InChIInChI=1S/C19H37F3/c1-5-7-9-11-12-14-16-17(15-13-10-8-6-2)18(3,4)19(20,21)22/h17H,5-16H2,1-4H3
InChIKeyJKFZWGAXQWQRDJ-UHFFFAOYSA-N
MW322.50 g/mol
LogP7.91
Rot. Bonds13

About 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane

7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane (PubChem CID 172743472) has the molecular formula C19H37F3 and a molecular weight of 322.50 g/mol. Its IUPAC name is 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane.

Molecular Properties

Compound Name7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
PubChem CID172743472
Molecular FormulaC19H37F3
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
SMILESCCCCCCCCC(CCCCCC)C(C)(C)C(F)(F)F
InChIInChI=1S/C19H37F3/c1-5-7-9-11-12-14-16-17(15-13-10-8-6-2)18(3,4)19(20,21)22/h17H,5-16H2,1-4H3
InChIKeyJKFZWGAXQWQRDJ-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 58991617
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
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CID 150236240
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CID 89005835
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane
CID 175472174
4-(1,1-dibromoethyl)-1,1,1-trifluorododecane
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1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
CID 58419046

Frequently Asked Questions

What is the IUPAC name of 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane?
The IUPAC name of 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane (CID 172743472) is 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane.
What is the SMILES notation for 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane?
The canonical SMILES for 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane is CCCCCCCCC(CCCCCC)C(C)(C)C(F)(F)F.
What is the InChIKey of 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane?
The InChIKey is JKFZWGAXQWQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F3/c1-5-7-9-11-12-14-16-17(15-13-10-8-6-2)18(3,4)19(20,21)22/h17H,5-16H2,1-4H3.
What are the key properties of 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane?
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane has a molecular weight of 322.50 g/mol, XLogP of 7.91, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane is sourced from PubChem (CID 172743472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).