3,3-difluoro-5-methoxypentan-1-amine

C6H13F2NO — CID 170976389

IUPAC3,3-difluoro-5-methoxypentan-1-amine
SMILESCOCCC(F)(F)CCN
InChIInChI=1S/C6H13F2NO/c1-10-5-3-6(7,8)2-4-9/h2-5,9H2,1H3
InChIKeySRWFLOSCGOUORL-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.01
Rot. Bonds5

About 3,3-difluoro-5-methoxypentan-1-amine

3,3-difluoro-5-methoxypentan-1-amine (PubChem CID 170976389) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3,3-difluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-5-methoxypentan-1-amine
PubChem CID170976389
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3,3-difluoro-5-methoxypentan-1-amine
SMILESCOCCC(F)(F)CCN
InChIInChI=1S/C6H13F2NO/c1-10-5-3-6(7,8)2-4-9/h2-5,9H2,1H3
InChIKeySRWFLOSCGOUORL-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxypentan-1-amine
CID 10057484
3,3-difluoro-5-methoxy-N-methylpentan-1-amine
CID 126619715
3,3-Difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 135174643
5-(2-Aminoethoxy)-3,3-difluoropentan-1-amine;ethane
CID 142409600
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
6-(Trifluoromethoxy)hexan-1-amine
CID 172214206
5-(2-Aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen
CID 176551876
5-(2,2,2-Trifluoroethoxy)pentan-1-amine
CID 61491327
5-(2,2,3,3-Tetrafluoropropoxy)pentan-1-amine
CID 61522414
1,1,1-Trifluoro-5-methoxypentan-2-amine
CID 64984887
5-(1,1,1-Trifluoropropan-2-yloxy)pentan-1-amine
CID 66276296
5-(2,2-Difluoroethoxy)pentan-1-amine
CID 82005244

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methoxypentan-1-amine?
The IUPAC name of 3,3-difluoro-5-methoxypentan-1-amine (CID 170976389) is 3,3-difluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 3,3-difluoro-5-methoxypentan-1-amine?
The canonical SMILES for 3,3-difluoro-5-methoxypentan-1-amine is COCCC(F)(F)CCN.
What is the InChIKey of 3,3-difluoro-5-methoxypentan-1-amine?
The InChIKey is SRWFLOSCGOUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-10-5-3-6(7,8)2-4-9/h2-5,9H2,1H3.
What are the key properties of 3,3-difluoro-5-methoxypentan-1-amine?
3,3-difluoro-5-methoxypentan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 170976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).