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

C10H17F2NO — CID 103838452

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

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

3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol (PubChem CID 103838452) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol
PubChem CID103838452
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNCC1CC=CCC1)C(F)F
InChIInChI=1S/C10H17F2NO/c11-10(12)9(14)7-13-6-8-4-2-1-3-5-8/h1-2,8-10,13-14H,3-7H2
InChIKeyQMKGHDBLGGQWBA-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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Related Compounds

3-[3,5-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propyl-(2-hydroxyethyl)azanium
CID 153499466
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733607
2-Cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044928
3-(Cyclohex-3-en-1-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 61529834
3-[2-(Cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63899845
3-(Cyclohex-3-en-1-ylamino)-1,1,1-trifluoropropan-2-ol
CID 65703131
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081284
3-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol
CID 103745513
3-(Cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol
CID 104857630
3-(6-Bicyclo[3.2.0]hept-3-enylamino)-1,1,1-trifluoropropan-2-ol
CID 105643447

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol (CID 103838452) is 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol is OC(CNCC1CC=CCC1)C(F)F.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol?
The InChIKey is QMKGHDBLGGQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)9(14)7-13-6-8-4-2-1-3-5-8/h1-2,8-10,13-14H,3-7H2.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol?
3-(cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-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)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103838452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).