(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine

C8H13F2N — CID 164649181

IUPAC(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine
SMILESC/C(=C\C1CC1(F)F)C(C)N
InChIInChI=1S/C8H13F2N/c1-5(6(2)11)3-7-4-8(7,9)10/h3,6-7H,4,11H2,1-2H3/b5-3+
InChIKeyZBLGWJJLHUHXHY-HWKANZROSA-N
MW161.19 g/mol
LogP1.94
Rot. Bonds2

About (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine

(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine (PubChem CID 164649181) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine
PubChem CID164649181
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine
SMILESC/C(=C\C1CC1(F)F)C(C)N
InChIInChI=1S/C8H13F2N/c1-5(6(2)11)3-7-4-8(7,9)10/h3,6-7H,4,11H2,1-2H3/b5-3+
InChIKeyZBLGWJJLHUHXHY-HWKANZROSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
CID 142882728
1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 54068661
[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 101381446
2-(2-fluoroprop-1-enyl)-1,1-dimethylcyclopropane
CID 54075210
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
(E)-3-methylhept-3-en-2-amine
CID 163910373
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
CID 71743764
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
CID 138987441
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine (CID 164649181) is (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine is C/C(=C\C1CC1(F)F)C(C)N.
What is the InChIKey of (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine?
The InChIKey is ZBLGWJJLHUHXHY-HWKANZROSA-N. The full InChI is InChI=1S/C8H13F2N/c1-5(6(2)11)3-7-4-8(7,9)10/h3,6-7H,4,11H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine?
(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine has a molecular weight of 161.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 164649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).