3-fluoro-N,N-dimethylbutan-1-amine

C6H14FN — CID 142449569

IUPAC3-fluoro-N,N-dimethylbutan-1-amine
SMILESCC(F)CCN(C)C
InChIInChI=1S/C6H14FN/c1-6(7)4-5-8(2)3/h6H,4-5H2,1-3H3
InChIKeyPOZIFHNAFDNEHD-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.30
Rot. Bonds3

About 3-fluoro-N,N-dimethylbutan-1-amine

3-fluoro-N,N-dimethylbutan-1-amine (PubChem CID 142449569) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylbutan-1-amine
PubChem CID142449569
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name3-fluoro-N,N-dimethylbutan-1-amine
SMILESCC(F)CCN(C)C
InChIInChI=1S/C6H14FN/c1-6(7)4-5-8(2)3/h6H,4-5H2,1-3H3
InChIKeyPOZIFHNAFDNEHD-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-fluorobutane-1-thiol
CID 57270000
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
CID 142562580
5-(dimethylamino)-3-fluoropentan-2-one
CID 139565635
(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610
2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
CID 175905976
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
CID 87406982
5-(dimethylamino)-3-fluoropentan-2-one;ethane
CID 142369430
N,N-dimethyl-3-phosphanyloxybutan-1-amine
CID 89417528

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-fluoro-N,N-dimethylbutan-1-amine (CID 142449569) is 3-fluoro-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-fluoro-N,N-dimethylbutan-1-amine is CC(F)CCN(C)C.
What is the InChIKey of 3-fluoro-N,N-dimethylbutan-1-amine?
The InChIKey is POZIFHNAFDNEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-6(7)4-5-8(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-N,N-dimethylbutan-1-amine?
3-fluoro-N,N-dimethylbutan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 142449569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).