N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine

C7H12F5N — CID 5092161

IUPACN,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
SMILESCCN(CC)C(F)C(F)C(F)(F)F
InChIInChI=1S/C7H12F5N/c1-3-13(4-2)6(9)5(8)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyVYWCZEWAUVLKDF-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.52
Rot. Bonds4

About N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine

N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 5092161) has the molecular formula C7H12F5N and a molecular weight of 205.17 g/mol. Its IUPAC name is N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
PubChem CID5092161
Molecular FormulaC7H12F5N
Molecular Weight205.17 g/mol
Exact Mass205.09
IUPAC NameN,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
SMILESCCN(CC)C(F)C(F)C(F)(F)F
InChIInChI=1S/C7H12F5N/c1-3-13(4-2)6(9)5(8)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyVYWCZEWAUVLKDF-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
CID 141407063
3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
CID 169074008
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
3,4,4,4-tetrafluoro-2-methylbutan-1-amine
CID 105431121
N-ethyl-N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 176694566
N,N-diethyl-2,3,3,3-tetrafluoropropanamide
CID 2774042
3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
CID 169074098
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
CID 54351271
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
CID 86215913

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine (CID 5092161) is N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine is CCN(CC)C(F)C(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is VYWCZEWAUVLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5N/c1-3-13(4-2)6(9)5(8)7(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine?
N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 205.17 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 5092161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).