(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride

C16H33ClFN — CID 72735850

IUPAC(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC/C=C(\F)CN.Cl
InChIInChI=1S/C16H32FN.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18;/h14H,2-13,15,18H2,1H3;1H/b16-14-;
InChIKeyPRDVKMHEXAMAHX-ULQCMBKMSA-N
MW293.90 g/mol
LogP5.92
Rot. Bonds13

About (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride

(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride (PubChem CID 72735850) has the molecular formula C16H33ClFN and a molecular weight of 293.90 g/mol. Its IUPAC name is (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride
PubChem CID72735850
Molecular FormulaC16H33ClFN
Molecular Weight293.90 g/mol
Exact Mass293.23
IUPAC Name(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC/C=C(\F)CN.Cl
InChIInChI=1S/C16H32FN.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18;/h14H,2-13,15,18H2,1H3;1H/b16-14-;
InChIKeyPRDVKMHEXAMAHX-ULQCMBKMSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.90
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-fluoronon-1-enyl]cyclopropane
CID 44549689
tricos-1-ene-1,1-diamine
CID 141373485
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
heptadecane;hypofluorous acid
CID 158426244
undec-1-ene-1,1-diol
CID 87556705
1-chlorooctadec-1-en-1-amine
CID 173460084
undec-3-en-3-amine
CID 151904505
(Z)-2-fluoronon-2-enenitrile
CID 11400896
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305
(E)-oct-2-en-2-amine
CID 87259480
1,1-dibromotridec-1-ene
CID 14681915
2-methylhenicos-2-ene;dihydrobromide
CID 175068359

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride (CID 72735850) is (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride is CCCCCCCCCCCCC/C=C(\F)CN.Cl.
What is the InChIKey of (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride?
The InChIKey is PRDVKMHEXAMAHX-ULQCMBKMSA-N. The full InChI is InChI=1S/C16H32FN.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18;/h14H,2-13,15,18H2,1H3;1H/b16-14-;.
What are the key properties of (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride?
(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride has a molecular weight of 293.90 g/mol, XLogP of 5.92, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluorohexadec-2-en-1-amine;hydrochloride is sourced from PubChem (CID 72735850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).