2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol

C11H16F2O2 — CID 123707906

IUPAC2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol
SMILESCOCC(F)(F)C(CO)C1=CCCC=C1
InChIInChI=1S/C11H16F2O2/c1-15-8-11(12,13)10(7-14)9-5-3-2-4-6-9/h3,5-6,10,14H,2,4,7-8H2,1H3
InChIKeyLJWURECTLRCNCC-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.15
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol

2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol (PubChem CID 123707906) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol
PubChem CID123707906
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol
SMILESCOCC(F)(F)C(CO)C1=CCCC=C1
InChIInChI=1S/C11H16F2O2/c1-15-8-11(12,13)10(7-14)9-5-3-2-4-6-9/h3,5-6,10,14H,2,4,7-8H2,1H3
InChIKeyLJWURECTLRCNCC-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-Fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 71179468
[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 90075760
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
CID 123210225
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
CID 141411641
Ethane;[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 144020186
1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 154515690
3-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 162545095
2-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-4-methylpentan-1-ol
CID 163787551
3-[3-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 163992983
[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol
CID 166823959
[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 173175959
1-[6,6-Difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 150589629

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol (CID 123707906) is 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol is COCC(F)(F)C(CO)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol?
The InChIKey is LJWURECTLRCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-15-8-11(12,13)10(7-14)9-5-3-2-4-6-9/h3,5-6,10,14H,2,4,7-8H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol?
2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol has a molecular weight of 218.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol is sourced from PubChem (CID 123707906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).