4,4,5,5-tetrafluoropentan-1-amine

C5H9F4N — CID 130986187

IUPAC4,4,5,5-tetrafluoropentan-1-amine
SMILESNCCCC(F)(F)C(F)F
InChIInChI=1S/C5H9F4N/c6-4(7)5(8,9)2-1-3-10/h4H,1-3,10H2
InChIKeyKLCVFSMOEPMYFY-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.63
Rot. Bonds4

About 4,4,5,5-tetrafluoropentan-1-amine

4,4,5,5-tetrafluoropentan-1-amine (PubChem CID 130986187) has the molecular formula C5H9F4N and a molecular weight of 159.13 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoropentan-1-amine.

Molecular Properties

Compound Name4,4,5,5-tetrafluoropentan-1-amine
PubChem CID130986187
Molecular FormulaC5H9F4N
Molecular Weight159.13 g/mol
Exact Mass159.07
IUPAC Name4,4,5,5-tetrafluoropentan-1-amine
SMILESNCCCC(F)(F)C(F)F
InChIInChI=1S/C5H9F4N/c6-4(7)5(8,9)2-1-3-10/h4H,1-3,10H2
InChIKeyKLCVFSMOEPMYFY-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
4,4,5,5,6,6-hexafluorohexan-1-amine
CID 172565102
4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
CID 87136906
2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
CID 54187869
2,5-diamino-2-(difluoromethyl)pentanal
CID 89066354
CID 172565067
CID 172565067
trichloro(3,3,4,4-tetrafluorobutyl)silane
CID 144984991
2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane
CID 123447457
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoropentan-1-amine?
The IUPAC name of 4,4,5,5-tetrafluoropentan-1-amine (CID 130986187) is 4,4,5,5-tetrafluoropentan-1-amine.
What is the SMILES notation for 4,4,5,5-tetrafluoropentan-1-amine?
The canonical SMILES for 4,4,5,5-tetrafluoropentan-1-amine is NCCCC(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoropentan-1-amine?
The InChIKey is KLCVFSMOEPMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4N/c6-4(7)5(8,9)2-1-3-10/h4H,1-3,10H2.
What are the key properties of 4,4,5,5-tetrafluoropentan-1-amine?
4,4,5,5-tetrafluoropentan-1-amine has a molecular weight of 159.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoropentan-1-amine is sourced from PubChem (CID 130986187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).