1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine

C10H13F10N — CID 19761945

IUPAC1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F10N/c1-5(2)4-21-10(19,20)6(3,11)7(12,13)8(14,15)9(16,17)18/h5,21H,4H2,1-3H3
InChIKeyINCUHHAPNHXKHH-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.39
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine

1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 19761945) has the molecular formula C10H13F10N and a molecular weight of 337.20 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID19761945
Molecular FormulaC10H13F10N
Molecular Weight337.20 g/mol
Exact Mass337.09
IUPAC Name1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F10N/c1-5(2)4-21-10(19,20)6(3,11)7(12,13)8(14,15)9(16,17)18/h5,21H,4H2,1-3H3
InChIKeyINCUHHAPNHXKHH-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-Bis(trifluoromethyl)piperidine
CID 10036439
4,4-Difluoro-3-methylpiperidine hydrochloride
CID 71656139
4,4-Difluoro-3,5-dimethylpiperidine hydrochloride
CID 126816568
(3R,5S)-4,4-difluoro-3,5-dimethylpiperidine hydrochloride
CID 135387056
4,4-Difluoro-3-(trifluoromethyl)piperidine hydrochloride
CID 138039740
3-Hexafluoropropyldiethylamine
CID 129730038
rac-(3R,5R)-4,4-difluoro-3,5-dimethylpiperidine hydrochloride
CID 137944458
N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
CID 18388689
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine
CID 19761948
1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine
CID 19761954
1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
CID 19761974
3-Methyl-N-(2,2,2-trifluoroethyl)-1-butanamine
CID 21355403

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 19761945) is 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is INCUHHAPNHXKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F10N/c1-5(2)4-21-10(19,20)6(3,11)7(12,13)8(14,15)9(16,17)18/h5,21H,4H2,1-3H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine?
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 337.20 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 19761945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).