N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

C17H31F2NO — CID 105189178

IUPACN-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCC(F)(F)CC1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H31F2NO/c1-6-20-14(12-7-9-17(18,19)10-8-12)13-11-15(2,3)21-16(13,4)5/h12-14,20H,6-11H2,1-5H3
InChIKeyFELBAASSDYNIKX-UHFFFAOYSA-N
MW303.44 g/mol
LogP4.38
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (PubChem CID 105189178) has the molecular formula C17H31F2NO and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
PubChem CID105189178
Molecular FormulaC17H31F2NO
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC NameN-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCC(F)(F)CC1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H31F2NO/c1-6-20-14(12-7-9-17(18,19)10-8-12)13-11-15(2,3)21-16(13,4)5/h12-14,20H,6-11H2,1-5H3
InChIKeyFELBAASSDYNIKX-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62740580
3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79908394
N-ethyl-3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914552
N-ethyl-3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914637
3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915275
3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79915498
3,3,3-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915611
N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79952601
4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953310
4,4,4-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79953923
N-ethyl-4,4,4-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954200
4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 79959296

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (CID 105189178) is N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is CCNC(C1CCC(F)(F)CC1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is FELBAASSDYNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2NO/c1-6-20-14(12-7-9-17(18,19)10-8-12)13-11-15(2,3)21-16(13,4)5/h12-14,20H,6-11H2,1-5H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105189178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).