3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne

C12H12F10 — CID 87328272

IUPAC3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne
SMILESC#CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C12H12F10/c1-2-4(14)6(16)8(18)10(20)12(22)11(21)9(19)7(17)5(15)3-13/h1,4-12H,3H2
InChIKeySXALULDPXMTXKJ-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.63
Rot. Bonds9

About 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne

3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne (PubChem CID 87328272) has the molecular formula C12H12F10 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne
PubChem CID87328272
Molecular FormulaC12H12F10
Molecular Weight346.21 g/mol
Exact Mass346.08
IUPAC Name3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne
SMILESC#CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C12H12F10/c1-2-4(14)6(16)8(18)10(20)12(22)11(21)9(19)7(17)5(15)3-13/h1,4-12H,3H2
InChIKeySXALULDPXMTXKJ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 12654214
CID 12654214
CID 10030
CID 10030
CID 9854
CID 9854
CID 86175475
CID 86175475
CID 154708447
CID 154708447
CID 162397469
CID 162397469
CID 11749068
CID 11749068
CID 12769960
CID 12769960
CID 12769961
CID 12769961
CID 12769962
CID 12769962
CID 12769964
CID 12769964
CID 13928936
CID 13928936

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne?
The IUPAC name of 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne (CID 87328272) is 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne.
What is the SMILES notation for 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne?
The canonical SMILES for 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne is C#CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF.
What is the InChIKey of 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne?
The InChIKey is SXALULDPXMTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F10/c1-2-4(14)6(16)8(18)10(20)12(22)11(21)9(19)7(17)5(15)3-13/h1,4-12H,3H2.
What are the key properties of 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne?
3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne has a molecular weight of 346.21 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10,11,12-decafluorododec-1-yne is sourced from PubChem (CID 87328272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).