3-fluoro-5-propylnonane;methanamine

C13H30FN — CID 168880819

IUPAC3-fluoro-5-propylnonane;methanamine
SMILESCCCCC(CCC)CC(F)CC.CN
InChIInChI=1S/C12H25F.CH5N/c1-4-7-9-11(8-5-2)10-12(13)6-3;1-2/h11-12H,4-10H2,1-3H3;2H2,1H3
InChIKeyCCYQNNHJMBCYFY-UHFFFAOYSA-N
MW219.39 g/mol
LogP4.31
Rot. Bonds8

About 3-fluoro-5-propylnonane;methanamine

3-fluoro-5-propylnonane;methanamine (PubChem CID 168880819) has the molecular formula C13H30FN and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-fluoro-5-propylnonane;methanamine.

Molecular Properties

Compound Name3-fluoro-5-propylnonane;methanamine
PubChem CID168880819
Molecular FormulaC13H30FN
Molecular Weight219.39 g/mol
Exact Mass219.24
IUPAC Name3-fluoro-5-propylnonane;methanamine
SMILESCCCCC(CCC)CC(F)CC.CN
InChIInChI=1S/C12H25F.CH5N/c1-4-7-9-11(8-5-2)10-12(13)6-3;1-2/h11-12H,4-10H2,1-3H3;2H2,1H3
InChIKeyCCYQNNHJMBCYFY-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-propyloctane
CID 168880938
6-butyl-4,8-dipropylundecane
CID 158410657
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
7-butyl-9-propylhexadecane
CID 91502397
9-butyl-7-propylheptadecane
CID 91567761
1,1-difluoro-4-propyloctane
CID 142584368
5-ethylnonane;5-propylnonane
CID 157441807
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
8-heptyl-10-propyloctadecane
CID 90802423
8-pentyl-6,10-dipropylpentadecane
CID 58892246

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propylnonane;methanamine?
The IUPAC name of 3-fluoro-5-propylnonane;methanamine (CID 168880819) is 3-fluoro-5-propylnonane;methanamine.
What is the SMILES notation for 3-fluoro-5-propylnonane;methanamine?
The canonical SMILES for 3-fluoro-5-propylnonane;methanamine is CCCCC(CCC)CC(F)CC.CN.
What is the InChIKey of 3-fluoro-5-propylnonane;methanamine?
The InChIKey is CCYQNNHJMBCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F.CH5N/c1-4-7-9-11(8-5-2)10-12(13)6-3;1-2/h11-12H,4-10H2,1-3H3;2H2,1H3.
What are the key properties of 3-fluoro-5-propylnonane;methanamine?
3-fluoro-5-propylnonane;methanamine has a molecular weight of 219.39 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propylnonane;methanamine is sourced from PubChem (CID 168880819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).