3-(diethylamino)propanoyl fluoride

C7H14FNO — CID 139607789

IUPAC3-(diethylamino)propanoyl fluoride
SMILESCCN(CC)CCC(=O)F
InChIInChI=1S/C7H14FNO/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3
InChIKeyZBIPOSXETZRTOV-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.21
Rot. Bonds5

About 3-(diethylamino)propanoyl fluoride

3-(diethylamino)propanoyl fluoride (PubChem CID 139607789) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(diethylamino)propanoyl fluoride.

Molecular Properties

Compound Name3-(diethylamino)propanoyl fluoride
PubChem CID139607789
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(diethylamino)propanoyl fluoride
SMILESCCN(CC)CCC(=O)F
InChIInChI=1S/C7H14FNO/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3
InChIKeyZBIPOSXETZRTOV-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
N,N-diethylethanamine;hypofluorous acid
CID 157218487
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
1-(diethylamino)heptan-3-one
CID 21485652
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
1-(diethylamino)-4-methylhexan-3-one
CID 79446320
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
1-(diethylamino)-5-methylhex-5-en-3-one
CID 79180161
3-[2-aminoethyl(ethyl)amino]-N,N-dimethylpropanamide
CID 61351237
2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate
CID 59204036
4-(diethylamino)butanoate;dihydrochloride
CID 21450375

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propanoyl fluoride?
The IUPAC name of 3-(diethylamino)propanoyl fluoride (CID 139607789) is 3-(diethylamino)propanoyl fluoride.
What is the SMILES notation for 3-(diethylamino)propanoyl fluoride?
The canonical SMILES for 3-(diethylamino)propanoyl fluoride is CCN(CC)CCC(=O)F.
What is the InChIKey of 3-(diethylamino)propanoyl fluoride?
The InChIKey is ZBIPOSXETZRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3.
What are the key properties of 3-(diethylamino)propanoyl fluoride?
3-(diethylamino)propanoyl fluoride has a molecular weight of 147.19 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propanoyl fluoride is sourced from PubChem (CID 139607789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).