[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol

C10H9F5O — CID 67825110

IUPAC[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESC=C(F)CC1(F)C=C(F)C(F)=C(CO)C1F
InChIInChI=1S/C10H9F5O/c1-5(11)2-10(15)3-7(12)8(13)6(4-16)9(10)14/h3,9,16H,1-2,4H2
InChIKeyUPDUDNINULXQQY-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.99
Rot. Bonds3

About [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol

[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 67825110) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID67825110
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESC=C(F)CC1(F)C=C(F)C(F)=C(CO)C1F
InChIInChI=1S/C10H9F5O/c1-5(11)2-10(15)3-7(12)8(13)6(4-16)9(10)14/h3,9,16H,1-2,4H2
InChIKeyUPDUDNINULXQQY-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol (CID 67825110) is [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol is C=C(F)CC1(F)C=C(F)C(F)=C(CO)C1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is UPDUDNINULXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-5(11)2-10(15)3-7(12)8(13)6(4-16)9(10)14/h3,9,16H,1-2,4H2.
What are the key properties of [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol?
[2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 240.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 67825110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).