1-cyclohexyl-4,4-difluorobut-3-en-2-ol

C10H16F2O — CID 14681375

IUPAC1-cyclohexyl-4,4-difluorobut-3-en-2-ol
SMILESOC(C=C(F)F)CC1CCCCC1
InChIInChI=1S/C10H16F2O/c11-10(12)7-9(13)6-8-4-2-1-3-5-8/h7-9,13H,1-6H2
InChIKeyWWWMCAAFNSGSMU-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.10
Rot. Bonds3

About 1-cyclohexyl-4,4-difluorobut-3-en-2-ol

1-cyclohexyl-4,4-difluorobut-3-en-2-ol (PubChem CID 14681375) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-cyclohexyl-4,4-difluorobut-3-en-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-4,4-difluorobut-3-en-2-ol
PubChem CID14681375
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-cyclohexyl-4,4-difluorobut-3-en-2-ol
SMILESOC(C=C(F)F)CC1CCCCC1
InChIInChI=1S/C10H16F2O/c11-10(12)7-9(13)6-8-4-2-1-3-5-8/h7-9,13H,1-6H2
InChIKeyWWWMCAAFNSGSMU-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4-difluorobut-3-en-2-ol?
The IUPAC name of 1-cyclohexyl-4,4-difluorobut-3-en-2-ol (CID 14681375) is 1-cyclohexyl-4,4-difluorobut-3-en-2-ol.
What is the SMILES notation for 1-cyclohexyl-4,4-difluorobut-3-en-2-ol?
The canonical SMILES for 1-cyclohexyl-4,4-difluorobut-3-en-2-ol is OC(C=C(F)F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,4-difluorobut-3-en-2-ol?
The InChIKey is WWWMCAAFNSGSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c11-10(12)7-9(13)6-8-4-2-1-3-5-8/h7-9,13H,1-6H2.
What are the key properties of 1-cyclohexyl-4,4-difluorobut-3-en-2-ol?
1-cyclohexyl-4,4-difluorobut-3-en-2-ol has a molecular weight of 190.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4-difluorobut-3-en-2-ol is sourced from PubChem (CID 14681375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).