1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid

C19H29F9O3 — CID 175292970

IUPAC1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.OC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CCCCCCCCF
InChIInChI=1S/C16H25F9O.C3H4O2/c17-8-6-4-2-1-3-5-7-9(18)10(19)11(20)12(21)13(22)14(23)15(24)16(25)26;1-2-3(4)5/h9-16,26H,1-8H2;2H,1H2,(H,4,5)
InChIKeyLDYPDLCVLZSPBU-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.60
Rot. Bonds16

About 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid

1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid (PubChem CID 175292970) has the molecular formula C19H29F9O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
PubChem CID175292970
Molecular FormulaC19H29F9O3
Molecular Weight476.42 g/mol
Exact Mass476.20
IUPAC Name1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.OC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CCCCCCCCF
InChIInChI=1S/C16H25F9O.C3H4O2/c17-8-6-4-2-1-3-5-7-9(18)10(19)11(20)12(21)13(22)14(23)15(24)16(25)26;1-2-3(4)5/h9-16,26H,1-8H2;2H,1H2,(H,4,5)
InChIKeyLDYPDLCVLZSPBU-UHFFFAOYSA-N
XLogP5.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
1,2,3,4,9-pentafluorononan-1-ol
CID 166745168
2,3,4,5,6,9-hexafluorononyl prop-2-enoate
CID 174535597
3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
CID 166745188
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
azane;prop-2-enyl 2,3,4,5,6,11-hexafluoroundecane-1-sulfonate
CID 175529513
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
1,2,3,4,5,6-hexafluorohexan-1-ol
CID 87481869
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
dodecane-1,1-diol;tris(prop-2-enoic acid)
CID 157166263
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid?
The IUPAC name of 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid (CID 175292970) is 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid?
The canonical SMILES for 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid is C=CC(=O)O.OC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CCCCCCCCF.
What is the InChIKey of 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid?
The InChIKey is LDYPDLCVLZSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F9O.C3H4O2/c17-8-6-4-2-1-3-5-7-9(18)10(19)11(20)12(21)13(22)14(23)15(24)16(25)26;1-2-3(4)5/h9-16,26H,1-8H2;2H,1H2,(H,4,5).
What are the key properties of 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid?
1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid has a molecular weight of 476.42 g/mol, XLogP of 5.60, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 175292970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).