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

C10H17F2NO — CID 104857630

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC1CC=CCC1
InChIInChI=1S/C10H17F2NO/c11-10(12,8-14)7-13-6-9-4-2-1-3-5-9/h1-2,9,13-14H,3-8H2
InChIKeyRREZIGIBBPWUOZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.56
Rot. Bonds5

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

3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol (PubChem CID 104857630) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol
PubChem CID104857630
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC1CC=CCC1
InChIInChI=1S/C10H17F2NO/c11-10(12,8-14)7-13-6-9-4-2-1-3-5-9/h1-2,9,13-14H,3-8H2
InChIKeyRREZIGIBBPWUOZ-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.56
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-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol (CID 104857630) is 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is RREZIGIBBPWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12,8-14)7-13-6-9-4-2-1-3-5-9/h1-2,9,13-14H,3-8H2.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol?
3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 205.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).