N-(3-fluorobut-1-en-2-yl)cyclopropanamine

C7H12FN — CID 154962539

IUPACN-(3-fluorobut-1-en-2-yl)cyclopropanamine
SMILESC=C(NC1CC1)C(C)F
InChIInChI=1S/C7H12FN/c1-5(8)6(2)9-7-3-4-7/h5,7,9H,2-4H2,1H3
InChIKeyPKDJFPPWBABSLF-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.61
Rot. Bonds3

About N-(3-fluorobut-1-en-2-yl)cyclopropanamine

N-(3-fluorobut-1-en-2-yl)cyclopropanamine (PubChem CID 154962539) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-(3-fluorobut-1-en-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-fluorobut-1-en-2-yl)cyclopropanamine
PubChem CID154962539
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-(3-fluorobut-1-en-2-yl)cyclopropanamine
SMILESC=C(NC1CC1)C(C)F
InChIInChI=1S/C7H12FN/c1-5(8)6(2)9-7-3-4-7/h5,7,9H,2-4H2,1H3
InChIKeyPKDJFPPWBABSLF-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
N-[(E)-4-fluorobut-1-enyl]cyclopropanamine
CID 135200060
4,4,4-trifluoro-N-propylbut-1-en-2-amine
CID 144591695
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
CID 146341897
(Z)-1-fluoro-N-methylbut-1-en-2-amine
CID 166762662
N-(2,2,2-trifluoroethyl)but-1-en-2-amine
CID 167212831
4,4,4-trifluoro-N-propan-2-ylbut-1-en-2-amine
CID 168399250
N-ethyl-3-fluorobut-1-en-2-amine
CID 170019433
1,1,1-trifluoro-N-prop-1-en-2-ylbutan-2-amine
CID 144271847
N-(2,2-difluoroethyl)but-1-en-2-amine
CID 145230885
3-fluoro-N-methylbut-1-en-2-amine
CID 145636376

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobut-1-en-2-yl)cyclopropanamine?
The IUPAC name of N-(3-fluorobut-1-en-2-yl)cyclopropanamine (CID 154962539) is N-(3-fluorobut-1-en-2-yl)cyclopropanamine.
What is the SMILES notation for N-(3-fluorobut-1-en-2-yl)cyclopropanamine?
The canonical SMILES for N-(3-fluorobut-1-en-2-yl)cyclopropanamine is C=C(NC1CC1)C(C)F.
What is the InChIKey of N-(3-fluorobut-1-en-2-yl)cyclopropanamine?
The InChIKey is PKDJFPPWBABSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(8)6(2)9-7-3-4-7/h5,7,9H,2-4H2,1H3.
What are the key properties of N-(3-fluorobut-1-en-2-yl)cyclopropanamine?
N-(3-fluorobut-1-en-2-yl)cyclopropanamine has a molecular weight of 129.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobut-1-en-2-yl)cyclopropanamine is sourced from PubChem (CID 154962539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).