1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine

C10H18F3NO — CID 65164288

IUPAC1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-14-8(7-10(11,12)13)4-5-9-3-2-6-15-9/h8-9,14H,2-7H2,1H3
InChIKeyIJFULVKRSSRFGB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine

1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine (PubChem CID 65164288) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
PubChem CID65164288
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-14-8(7-10(11,12)13)4-5-9-3-2-6-15-9/h8-9,14H,2-7H2,1H3
InChIKeyIJFULVKRSSRFGB-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
[5,5-dimethyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105220277
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine (CID 65164288) is 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine is CNC(CCC1CCCO1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine?
The InChIKey is IJFULVKRSSRFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-8(7-10(11,12)13)4-5-9-3-2-6-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine?
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 65164288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).