(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol

C10H12F2O2 — CID 142777990

IUPAC(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol
SMILESCOC1(F)C=CC(F)=C(/C=C\CO)C1
InChIInChI=1S/C10H12F2O2/c1-14-10(12)5-4-9(11)8(7-10)3-2-6-13/h2-5,13H,6-7H2,1H3/b3-2-
InChIKeyLLGFGRHOFUSNKA-IHWYPQMZSA-N
MW202.20 g/mol
LogP2.03
Rot. Bonds3

About (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol

(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol (PubChem CID 142777990) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol
PubChem CID142777990
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol
SMILESCOC1(F)C=CC(F)=C(/C=C\CO)C1
InChIInChI=1S/C10H12F2O2/c1-14-10(12)5-4-9(11)8(7-10)3-2-6-13/h2-5,13H,6-7H2,1H3/b3-2-
InChIKeyLLGFGRHOFUSNKA-IHWYPQMZSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol (CID 142777990) is (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol is COC1(F)C=CC(F)=C(/C=C\CO)C1.
What is the InChIKey of (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol?
The InChIKey is LLGFGRHOFUSNKA-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-14-10(12)5-4-9(11)8(7-10)3-2-6-13/h2-5,13H,6-7H2,1H3/b3-2-.
What are the key properties of (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol?
(Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,5-difluoro-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 142777990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).