1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol

C9H13F2NO — CID 165497645

IUPAC1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2CNC2)C=CC(F)(F)CC1
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-7/h1,3,7,12-13H,2,4-6H2
InChIKeyKUHAXPKGVXKKCX-UHFFFAOYSA-N
MW189.20 g/mol
LogP0.92
Rot. Bonds1

About 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol

1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165497645) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165497645
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2CNC2)C=CC(F)(F)CC1
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-7/h1,3,7,12-13H,2,4-6H2
InChIKeyKUHAXPKGVXKKCX-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497640
1-(cyclopentylmethyl)-4,4-difluorocyclohex-2-en-1-ol
CID 165498528
1-butyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497636
1-(azetidin-3-yl)cyclohexan-1-ol
CID 130510137
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
1-(4-chlorothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165492122
(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 55279054
(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 124660379
(1R,6R)-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
CID 98113046
4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol
CID 165491944
ethane;6-methyl-3-azabicyclo[4.1.0]heptane
CID 154650325

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol (CID 165497645) is 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol is OC1(C2CNC2)C=CC(F)(F)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is KUHAXPKGVXKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-7/h1,3,7,12-13H,2,4-6H2.
What are the key properties of 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 189.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165497645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).