1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine

C8H15F2NO — CID 84718118

IUPAC1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-5-6-2-3-7(4-6)12-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyHYTBTBFVMGUULJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.61
Rot. Bonds4

About 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine

1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine (PubChem CID 84718118) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
PubChem CID84718118
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-5-6-2-3-7(4-6)12-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyHYTBTBFVMGUULJ-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
CID 155122210
[3-(Difluoromethoxy)cyclopentyl]methanamine
CID 84717028
1-[2-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
CID 84718119
2-[3-(difluoromethoxy)cyclopentyl]-N-methylethanamine
CID 84720014
2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine
CID 84720015
1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine
CID 84720019
3-(3,3,3-Trifluoro-2-methoxypropyl)pyrrolidine
CID 84733449
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271422
3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine
CID 105437929
3-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106120786
3-[(2,2,2-Trifluoroethylamino)methyl]cyclopentan-1-ol
CID 106129142
3-[(4,4,4-Trifluorobutylamino)methyl]cyclopentan-1-ol
CID 106129378

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine (CID 84718118) is 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine is CNCC1CCC(OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine?
The InChIKey is HYTBTBFVMGUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-5-6-2-3-7(4-6)12-8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine?
1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 84718118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).