difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen

C10H16F3NO — CID 145483741

IUPACdifluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
SMILESCNCc1cccc(OCF)c1.FCF.[H][H]
InChIInChI=1S/C9H12FNO.CH2F2.H2/c1-11-6-8-3-2-4-9(5-8)12-7-10;2-1-3;/h2-5,11H,6-7H2,1H3;1H2;1H
InChIKeySHWWNFUYUQZQMU-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.84
Rot. Bonds4

About difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen

difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen (PubChem CID 145483741) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen.

Molecular Properties

Compound Namedifluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
PubChem CID145483741
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Namedifluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
SMILESCNCc1cccc(OCF)c1.FCF.[H][H]
InChIInChI=1S/C9H12FNO.CH2F2.H2/c1-11-6-8-3-2-4-9(5-8)12-7-10;2-1-3;/h2-5,11H,6-7H2,1H3;1H2;1H
InChIKeySHWWNFUYUQZQMU-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-benzyl-3-(fluoromethoxy)benzene
CID 173286107
N-methyl-1-[3-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191009
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
CID 64730838

Frequently Asked Questions

What is the IUPAC name of difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen?
The IUPAC name of difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen (CID 145483741) is difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen.
What is the SMILES notation for difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen?
The canonical SMILES for difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen is CNCc1cccc(OCF)c1.FCF.[H][H].
What is the InChIKey of difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen?
The InChIKey is SHWWNFUYUQZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.CH2F2.H2/c1-11-6-8-3-2-4-9(5-8)12-7-10;2-1-3;/h2-5,11H,6-7H2,1H3;1H2;1H.
What are the key properties of difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen?
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen has a molecular weight of 223.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen is sourced from PubChem (CID 145483741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).