fluorophosphonic acid;pentan-1-amine

C5H15FNO3P — CID 174849485

IUPACfluorophosphonic acid;pentan-1-amine
SMILESCCCCCN.O=P(O)(O)F
InChIInChI=1S/C5H13N.FH2O3P/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;(H2,2,3,4)
InChIKeyHKBGWYSCPBHFAG-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.18
Rot. Bonds3

About fluorophosphonic acid;pentan-1-amine

fluorophosphonic acid;pentan-1-amine (PubChem CID 174849485) has the molecular formula C5H15FNO3P and a molecular weight of 187.15 g/mol. Its IUPAC name is fluorophosphonic acid;pentan-1-amine.

Molecular Properties

Compound Namefluorophosphonic acid;pentan-1-amine
PubChem CID174849485
Molecular FormulaC5H15FNO3P
Molecular Weight187.15 g/mol
Exact Mass187.08
IUPAC Namefluorophosphonic acid;pentan-1-amine
SMILESCCCCCN.O=P(O)(O)F
InChIInChI=1S/C5H13N.FH2O3P/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;(H2,2,3,4)
InChIKeyHKBGWYSCPBHFAG-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(hexadecan-1-amine);phosphoric acid
CID 173300602
hexan-1-amine;phosphoric acid
CID 173003303
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
tris(dodecan-1-amine);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175247763
tricalcium;octadecan-1-amine;diphosphate
CID 174663264
dodecan-1-amine;hydroxylamine
CID 175960605
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;pentan-1-amine?
The IUPAC name of fluorophosphonic acid;pentan-1-amine (CID 174849485) is fluorophosphonic acid;pentan-1-amine.
What is the SMILES notation for fluorophosphonic acid;pentan-1-amine?
The canonical SMILES for fluorophosphonic acid;pentan-1-amine is CCCCCN.O=P(O)(O)F.
What is the InChIKey of fluorophosphonic acid;pentan-1-amine?
The InChIKey is HKBGWYSCPBHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.FH2O3P/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;(H2,2,3,4).
What are the key properties of fluorophosphonic acid;pentan-1-amine?
fluorophosphonic acid;pentan-1-amine has a molecular weight of 187.15 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;pentan-1-amine is sourced from PubChem (CID 174849485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).