3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane

C11H20F3NO — CID 164530936

IUPAC3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
SMILESC=C(O)CN.CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3.C3H7NO/c1-6-2-4-7(5-3-6)8(9,10)11;1-3(5)2-4/h6-7H,2-5H2,1H3;5H,1-2,4H2
InChIKeyNFTUXZCINVEKMC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.39
Rot. Bonds1

About 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane

3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane (PubChem CID 164530936) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
PubChem CID164530936
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
SMILESC=C(O)CN.CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3.C3H7NO/c1-6-2-4-7(5-3-6)8(9,10)11;1-3(5)2-4/h6-7H,2-5H2,1H3;5H,1-2,4H2
InChIKeyNFTUXZCINVEKMC-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
CID 112565905
2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
CID 64774277
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594
2-aminoacetic acid;methylcyclopropane
CID 153395802
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
CID 140689381
1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane
CID 129127578

Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane (CID 164530936) is 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane is C=C(O)CN.CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane?
The InChIKey is NFTUXZCINVEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3.C3H7NO/c1-6-2-4-7(5-3-6)8(9,10)11;1-3(5)2-4/h6-7H,2-5H2,1H3;5H,1-2,4H2.
What are the key properties of 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane?
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane has a molecular weight of 239.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 164530936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).