1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol

C11H16F2O — CID 71163702

IUPAC1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(O)CC1C=C(F)C(F)=CC1
InChIInChI=1S/C11H16F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h5,7-9,14H,2-4,6H2,1H3
InChIKeyCCRYDWRCFVJKFH-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.26
Rot. Bonds4

About 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol

1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol (PubChem CID 71163702) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
PubChem CID71163702
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(O)CC1C=C(F)C(F)=CC1
InChIInChI=1S/C11H16F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h5,7-9,14H,2-4,6H2,1H3
InChIKeyCCRYDWRCFVJKFH-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The IUPAC name of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol (CID 71163702) is 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol.
What is the SMILES notation for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The canonical SMILES for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol is CCCC(O)CC1C=C(F)C(F)=CC1.
What is the InChIKey of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The InChIKey is CCRYDWRCFVJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h5,7-9,14H,2-4,6H2,1H3.
What are the key properties of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol has a molecular weight of 202.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentan-2-ol is sourced from PubChem (CID 71163702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).