(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine

C12H21F2N — CID 164973242

IUPAC(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1(C)CC(F)(F)C1
InChIInChI=1S/C12H21F2N/c1-8(2)9(3)15-10(4)11(5)6-12(13,14)7-11/h8-9,15H,4,6-7H2,1-3,5H3/t9-/m1/s1
InChIKeyYZKWCAJZADBULF-SECBINFHSA-N
MW217.30 g/mol
LogP3.57
Rot. Bonds4

About (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine

(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine (PubChem CID 164973242) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
PubChem CID164973242
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1(C)CC(F)(F)C1
InChIInChI=1S/C12H21F2N/c1-8(2)9(3)15-10(4)11(5)6-12(13,14)7-11/h8-9,15H,4,6-7H2,1-3,5H3/t9-/m1/s1
InChIKeyYZKWCAJZADBULF-SECBINFHSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
(4R,5S)-2-N-ethyl-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185621
(4R,5S)-3,3-difluoro-4,6-dimethyl-2-N-(2,2,2-trifluoroethyl)hept-1-ene-2,5-diamine
CID 145185625
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
5-Tert-butyl-3,3-difluoro-2-methylidenepyrrolidine
CID 169873533
N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
CID 171516200
1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane
CID 177204403
N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
CID 156816420
(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
CID 164977829
(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
CID 164984309
(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 165048192

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine (CID 164973242) is (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C1(C)CC(F)(F)C1.
What is the InChIKey of (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine?
The InChIKey is YZKWCAJZADBULF-SECBINFHSA-N. The full InChI is InChI=1S/C12H21F2N/c1-8(2)9(3)15-10(4)11(5)6-12(13,14)7-11/h8-9,15H,4,6-7H2,1-3,5H3/t9-/m1/s1.
What are the key properties of (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine has a molecular weight of 217.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 164973242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).