5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine

C10H18F3NO — CID 105024352

IUPAC5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESCC1CC(C(N)CCCC(F)(F)F)CO1
InChIInChI=1S/C10H18F3NO/c1-7-5-8(6-15-7)9(14)3-2-4-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyUPCDJOSHZUPWAU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine

5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine (PubChem CID 105024352) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
PubChem CID105024352
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESCC1CC(C(N)CCCC(F)(F)F)CO1
InChIInChI=1S/C10H18F3NO/c1-7-5-8(6-15-7)9(14)3-2-4-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyUPCDJOSHZUPWAU-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 64565379

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine (CID 105024352) is 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine is CC1CC(C(N)CCCC(F)(F)F)CO1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The InChIKey is UPCDJOSHZUPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-5-8(6-15-7)9(14)3-2-4-10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105024352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).