1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine

C7H13F2NO — CID 177329942

IUPAC1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@]1(COC)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-6(5-11-2)3-7(6,8)9/h10H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyFUFBFLPVDCLZLN-LURJTMIESA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds4

About 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine

1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine (PubChem CID 177329942) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine
PubChem CID177329942
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@]1(COC)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-6(5-11-2)3-7(6,8)9/h10H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyFUFBFLPVDCLZLN-LURJTMIESA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Difluoromethoxymethyl)cyclopropyl]methanamine
CID 84716435
Methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
CID 146427393
N-(difluoromethyl)-2-methyl-2-(oxiran-2-yl)propan-1-amine
CID 149852533
1-[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methanamine
CID 165643801
1-[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 169852617
1-[2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170601520
[(1R)-2,2-difluoro-1-(methylaminomethyl)cyclopropyl]methanol
CID 176216801
1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N-methylmethanamine
CID 178933233
2-(difluoromethoxymethyl)-N-methylbutan-1-amine
CID 84717206
N,2-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706032
[1-(2,2,2-Trifluoroethoxymethyl)cyclopropyl]methanamine
CID 106706074
N-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)cyclopropyl]methanamine
CID 106706075

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine (CID 177329942) is 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine is CNC[C@]1(COC)CC1(F)F.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is FUFBFLPVDCLZLN-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-4-6(5-11-2)3-7(6,8)9/h10H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine?
1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 165.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 177329942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).