7-(1,1,1-trifluoropropan-2-yl)tetradecane

C17H33F3 — CID 155261699

IUPAC7-(1,1,1-trifluoropropan-2-yl)tetradecane
SMILESCCCCCCCC(CCCCCC)C(C)C(F)(F)F
InChIInChI=1S/C17H33F3/c1-4-6-8-10-12-14-16(13-11-9-7-5-2)15(3)17(18,19)20/h15-16H,4-14H2,1-3H3
InChIKeyIDCBFUJGPAHUSE-UHFFFAOYSA-N
MW294.44 g/mol
LogP7.13
Rot. Bonds12

About 7-(1,1,1-trifluoropropan-2-yl)tetradecane

7-(1,1,1-trifluoropropan-2-yl)tetradecane (PubChem CID 155261699) has the molecular formula C17H33F3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-(1,1,1-trifluoropropan-2-yl)tetradecane.

Molecular Properties

Compound Name7-(1,1,1-trifluoropropan-2-yl)tetradecane
PubChem CID155261699
Molecular FormulaC17H33F3
Molecular Weight294.44 g/mol
Exact Mass294.25
IUPAC Name7-(1,1,1-trifluoropropan-2-yl)tetradecane
SMILESCCCCCCCC(CCCCCC)C(C)C(F)(F)F
InChIInChI=1S/C17H33F3/c1-4-6-8-10-12-14-16(13-11-9-7-5-2)15(3)17(18,19)20/h15-16H,4-14H2,1-3H3
InChIKeyIDCBFUJGPAHUSE-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 57.13
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 21470284
7,8-dihexylicosane
CID 21490611
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
6-[(2S)-1-fluoropropan-2-yl]tridecane
CID 154930317
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
6-propan-2-yltridecane
CID 123704479
8-propan-2-ylpentadecane
CID 153475308
2-fluorohenicosane
CID 91354486
8,9-dibutylhexadecane
CID 530025
2-decyl-4,4,4-trifluorobutane-1,3-diol
CID 75153361
8-methyl-7-pentylhexadecane
CID 123739023
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476

Frequently Asked Questions

What is the IUPAC name of 7-(1,1,1-trifluoropropan-2-yl)tetradecane?
The IUPAC name of 7-(1,1,1-trifluoropropan-2-yl)tetradecane (CID 155261699) is 7-(1,1,1-trifluoropropan-2-yl)tetradecane.
What is the SMILES notation for 7-(1,1,1-trifluoropropan-2-yl)tetradecane?
The canonical SMILES for 7-(1,1,1-trifluoropropan-2-yl)tetradecane is CCCCCCCC(CCCCCC)C(C)C(F)(F)F.
What is the InChIKey of 7-(1,1,1-trifluoropropan-2-yl)tetradecane?
The InChIKey is IDCBFUJGPAHUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3/c1-4-6-8-10-12-14-16(13-11-9-7-5-2)15(3)17(18,19)20/h15-16H,4-14H2,1-3H3.
What are the key properties of 7-(1,1,1-trifluoropropan-2-yl)tetradecane?
7-(1,1,1-trifluoropropan-2-yl)tetradecane has a molecular weight of 294.44 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,1-trifluoropropan-2-yl)tetradecane is sourced from PubChem (CID 155261699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).