3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine

C11H20F3N — CID 170144257

IUPAC3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine
SMILESCCCCC(C)C1CN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-3-4-5-9(2)10-6-15(7-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyVUAHSFYNTBFNAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds5

About 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine

3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 170144257) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID170144257
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine
SMILESCCCCC(C)C1CN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-3-4-5-9(2)10-6-15(7-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyVUAHSFYNTBFNAB-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-propan-2-yl-3-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 169176377
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
octan-2-ylcyclopropane
CID 18968125
1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine
CID 166755505
5-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 170588923
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
butyl 3-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 175970553
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 144825309
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501

Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine (CID 170144257) is 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine is CCCCC(C)C1CN(CC(F)(F)F)C1.
What is the InChIKey of 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is VUAHSFYNTBFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-4-5-9(2)10-6-15(7-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine?
3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 170144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).