(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid

C11H17F4NO2 — CID 170902541

IUPAC(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC12CCC(F)(CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16FN.C2HF3O2/c10-9-4-1-8(7-11,2-5-9)3-6-9;3-2(4,5)1(6)7/h1-7,11H2;(H,6,7)
InChIKeySNMQPPVGOVOLCX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.64
Rot. Bonds1

About (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid

(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 170902541) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID170902541
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC12CCC(F)(CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16FN.C2HF3O2/c10-9-4-1-8(7-11,2-5-9)3-6-9;3-2(4,5)1(6)7/h1-7,11H2;(H,6,7)
InChIKeySNMQPPVGOVOLCX-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
CID 72698248
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
CID 134128339
4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 155165177
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 86114329
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid (CID 170902541) is (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid is NCC12CCC(F)(CC1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SNMQPPVGOVOLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN.C2HF3O2/c10-9-4-1-8(7-11,2-5-9)3-6-9;3-2(4,5)1(6)7/h1-7,11H2;(H,6,7).
What are the key properties of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid?
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 271.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170902541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).