(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine

C7H10F5N — CID 170408501

IUPAC(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine
SMILESC/C(F)=C(/C)NC(C)(F)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-4(8)5(2)13-6(3,9)7(10,11)12/h13H,1-3H3/b5-4+
InChIKeyZBCBMSGSQHTUPH-SNAWJCMRSA-N
MW203.15 g/mol
LogP3.04
Rot. Bonds2

About (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine

(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine (PubChem CID 170408501) has the molecular formula C7H10F5N and a molecular weight of 203.15 g/mol. Its IUPAC name is (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine
PubChem CID170408501
Molecular FormulaC7H10F5N
Molecular Weight203.15 g/mol
Exact Mass203.07
IUPAC Name(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine
SMILESC/C(F)=C(/C)NC(C)(F)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-4(8)5(2)13-6(3,9)7(10,11)12/h13H,1-3H3/b5-4+
InChIKeyZBCBMSGSQHTUPH-SNAWJCMRSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159475239
3-fluorobut-2-en-2-ylsilane
CID 173098765
(E)-4-ethyl-2-fluoro-3,4-dimethylhex-2-ene
CID 167317174
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
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3,3-difluoro-2,2-dimethylbutan-1-ol
CID 118052047
(Z)-3-fluoro-2-methyl-N-(2-sulfanylpropan-2-yl)but-2-enamide
CID 138569238
2-chloro-1,1,1,3-tetrafluorobut-2-ene
CID 53395469
(Z)-1,3,3-trifluoro-2-methylbut-1-ene
CID 19788895
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
CID 18629941
1,1,1-trifluoroethane
CID 9868
2,2-difluoropropane
CID 160894634

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine?
The IUPAC name of (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine (CID 170408501) is (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine.
What is the SMILES notation for (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine?
The canonical SMILES for (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine is C/C(F)=C(/C)NC(C)(F)C(F)(F)F.
What is the InChIKey of (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine?
The InChIKey is ZBCBMSGSQHTUPH-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H10F5N/c1-4(8)5(2)13-6(3,9)7(10,11)12/h13H,1-3H3/b5-4+.
What are the key properties of (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine?
(E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine has a molecular weight of 203.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-(1,1,1,2-tetrafluoropropan-2-yl)but-2-en-2-amine is sourced from PubChem (CID 170408501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).