3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol

C9H15F2NO — CID 106176671

IUPAC3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1C=CCCC1
InChIInChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h2,4,8,12-13H,1,3,5-7H2
InChIKeyUQSQPHRCVDIUMG-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.31
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol

3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 106176671) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol
PubChem CID106176671
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1C=CCCC1
InChIInChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h2,4,8,12-13H,1,3,5-7H2
InChIKeyUQSQPHRCVDIUMG-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol (CID 106176671) is 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is UQSQPHRCVDIUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h2,4,8,12-13H,1,3,5-7H2.
What are the key properties of 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol?
3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 191.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).