1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine

C10H19F2NO — CID 177330683

IUPAC1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCC(C)OC[C@@]1(CN(C)C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9(6-13(3)4)5-10(9,11)12/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyLWDSWABPQPIJJQ-VIFPVBQESA-N
MW207.26 g/mol
LogP2.00
Rot. Bonds5

About 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine

1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 177330683) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID177330683
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCC(C)OC[C@@]1(CN(C)C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9(6-13(3)4)5-10(9,11)12/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyLWDSWABPQPIJJQ-VIFPVBQESA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine (CID 177330683) is 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine is CC(C)OC[C@@]1(CN(C)C)CC1(F)F.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is LWDSWABPQPIJJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)14-7-9(6-13(3)4)5-10(9,11)12/h8H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine?
1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 177330683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).