(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine

C7H11F6N — CID 7158835

IUPAC(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
SMILESCCN(CC)C(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBNTFCVMJHBNJAR-YFKPBYRVSA-N
MW223.16 g/mol
LogP2.82
Rot. Bonds4

About (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine

(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine (PubChem CID 7158835) has the molecular formula C7H11F6N and a molecular weight of 223.16 g/mol. Its IUPAC name is (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
PubChem CID7158835
Molecular FormulaC7H11F6N
Molecular Weight223.16 g/mol
Exact Mass223.08
IUPAC Name(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
SMILESCCN(CC)C(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBNTFCVMJHBNJAR-YFKPBYRVSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 52.82
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

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
1,2,3,3,3-Pentafluoro-1-propenyldiethylamine
CID 5909846
N-Ethyl-N-(trifluoromethyl)ethanamine
CID 12654527
2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 10725976
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N,N-diisopropyl(2,2,3,3,3-pentafluoropropyl)amine
CID 11806562
(Heptafluoroisopropyl)trimethylamine
CID 12655947
(Heptafluoroisopropyl)trimethylamine hydrochloride
CID 12655948
(Perfluoro-t-butyl)trimethylamine
CID 12655951
N,N-diethylpentafluoropropenylamine
CID 3741049
N,N-Dimethyl-1,1,2,3,3,3-hexafluoropropane-1-amine
CID 11679989
1,1,2,2-Tetrafluoroethyldiethylamine
CID 12243206

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine?
The IUPAC name of (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine (CID 7158835) is (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine.
What is the SMILES notation for (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine?
The canonical SMILES for (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine is CCN(CC)C(F)(F)[C@@H](F)C(F)(F)F.
What is the InChIKey of (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine?
The InChIKey is BNTFCVMJHBNJAR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine?
(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine has a molecular weight of 223.16 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine is sourced from PubChem (CID 7158835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).