1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane

C10H7F13 — CID 20676945

IUPAC1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
SMILESCC(=C(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F13/c1-4(8(15,16)17)5(2-6(11,12)9(18,19)20)3-7(13,14)10(21,22)23/h2-3H2,1H3
InChIKeyDNHCZMZQRCEOLX-UHFFFAOYSA-N
MW374.14 g/mol
LogP6.04
Rot. Bonds4

About 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane

1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane (PubChem CID 20676945) has the molecular formula C10H7F13 and a molecular weight of 374.14 g/mol. Its IUPAC name is 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane.

Molecular Properties

Compound Name1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
PubChem CID20676945
Molecular FormulaC10H7F13
Molecular Weight374.14 g/mol
Exact Mass374.03
IUPAC Name1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
SMILESCC(=C(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F13/c1-4(8(15,16)17)5(2-6(11,12)9(18,19)20)3-7(13,14)10(21,22)23/h2-3H2,1H3
InChIKeyDNHCZMZQRCEOLX-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.14
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane?
The IUPAC name of 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane (CID 20676945) is 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane.
What is the SMILES notation for 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane?
The canonical SMILES for 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane is CC(=C(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane?
The InChIKey is DNHCZMZQRCEOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13/c1-4(8(15,16)17)5(2-6(11,12)9(18,19)20)3-7(13,14)10(21,22)23/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane?
1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane has a molecular weight of 374.14 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,6,6,7,7,7-decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane is sourced from PubChem (CID 20676945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).