1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine

C5HF12N — CID 130272456

IUPAC1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF12N/c6-1(7)2(8,9)3(10,11)18(4(12,13)14)5(15,16)17/h1H
InChIKeyCDRQKPHKFQVSTF-UHFFFAOYSA-N
MW303.05 g/mol
LogP3.82
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine

1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine (PubChem CID 130272456) has the molecular formula C5HF12N and a molecular weight of 303.05 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine
PubChem CID130272456
Molecular FormulaC5HF12N
Molecular Weight303.05 g/mol
Exact Mass302.99
IUPAC Name1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF12N/c6-1(7)2(8,9)3(10,11)18(4(12,13)14)5(15,16)17/h1H
InChIKeyCDRQKPHKFQVSTF-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.05
LogP ≤ 53.82
H-Bond Donors ≤ 50
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

1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
CID 58741044
fluoro(1,1,2,2,3,3,4,4-octafluorobutyl)carbamic acid
CID 91202349
1,1,2,2,3,3,4,4-octafluorobutylsilane
CID 175217850
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,2-bis(difluoromethyl)-1,2-bis(trifluoromethyl)hydrazine
CID 87599572
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
N,N,1,1,2,3,3-heptafluoropropan-2-amine
CID 19390373

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine (CID 130272456) is 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine is FC(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine?
The InChIKey is CDRQKPHKFQVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF12N/c6-1(7)2(8,9)3(10,11)18(4(12,13)14)5(15,16)17/h1H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine?
1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine has a molecular weight of 303.05 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 130272456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).