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

C11H19F2N — CID 165048192

IUPAC(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-7(2)8(3)14-9(4)10-5-11(12,13)6-10/h7-8,10,14H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyAQYXDCASNUKDIQ-MRVPVSSYSA-N
MW203.28 g/mol
LogP3.18
Rot. Bonds4

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

(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine (PubChem CID 165048192) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
PubChem CID165048192
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-7(2)8(3)14-9(4)10-5-11(12,13)6-10/h7-8,10,14H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyAQYXDCASNUKDIQ-MRVPVSSYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine (CID 165048192) is (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C1CC(F)(F)C1.
What is the InChIKey of (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine?
The InChIKey is AQYXDCASNUKDIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7(2)8(3)14-9(4)10-5-11(12,13)6-10/h7-8,10,14H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.18, 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-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 165048192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).