1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol

C12H9F7O — CID 87974106

IUPAC1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESC=Cc1ccc(C(O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F7O/c1-2-7-3-5-8(6-4-7)9(20)10(13,14)11(15,16)12(17,18)19/h2-6,9,20H,1H2
InChIKeyCIIRCHWJNYYINH-UHFFFAOYSA-N
MW302.19 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol

1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol (PubChem CID 87974106) has the molecular formula C12H9F7O and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
PubChem CID87974106
Molecular FormulaC12H9F7O
Molecular Weight302.19 g/mol
Exact Mass302.05
IUPAC Name1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESC=Cc1ccc(C(O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F7O/c1-2-7-3-5-8(6-4-7)9(20)10(13,14)11(15,16)12(17,18)19/h2-6,9,20H,1H2
InChIKeyCIIRCHWJNYYINH-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
CID 20741103
(1R,2R)-1,2-bis(4-ethenylphenyl)ethane-1,2-diol
CID 11747528
1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene
CID 88657051
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
CID 150329272
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
CID 171042002
1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene
CID 134294875
2-(4-ethenylphenyl)-2,2-difluoroacetic acid
CID 154126717
(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
CID 10568693
1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene
CID 155899402
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 15807454

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The IUPAC name of 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol (CID 87974106) is 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol.
What is the SMILES notation for 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The canonical SMILES for 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol is C=Cc1ccc(C(O)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The InChIKey is CIIRCHWJNYYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7O/c1-2-7-3-5-8(6-4-7)9(20)10(13,14)11(15,16)12(17,18)19/h2-6,9,20H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol has a molecular weight of 302.19 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol is sourced from PubChem (CID 87974106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).