(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine

C11H21F2N3 — CID 139480575

IUPAC(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine
SMILESCC(C)N(N)/C1=C(\N)C(F)(F)CCCCC1
InChIInChI=1S/C11H21F2N3/c1-8(2)16(15)9-6-4-3-5-7-11(12,13)10(9)14/h8H,3-7,14-15H2,1-2H3/b10-9-
InChIKeyRCGWEAQYPHJKGF-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds2

About (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine

(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine (PubChem CID 139480575) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine
PubChem CID139480575
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine
SMILESCC(C)N(N)/C1=C(\N)C(F)(F)CCCCC1
InChIInChI=1S/C11H21F2N3/c1-8(2)16(15)9-6-4-3-5-7-11(12,13)10(9)14/h8H,3-7,14-15H2,1-2H3/b10-9-
InChIKeyRCGWEAQYPHJKGF-KTKRTIGZSA-N
XLogP2.34
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine
CID 139481219
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
CID 145278390
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 145278392
(3Z)-4-[amino(methyl)amino]-2,2-difluorocyclooct-3-ene-1,3-diamine
CID 145278413
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 146507553
(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
CID 146507775
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 153352608
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
CID 145278391
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 145278393

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine (CID 139480575) is (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine is CC(C)N(N)/C1=C(\N)C(F)(F)CCCCC1.
What is the InChIKey of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine?
The InChIKey is RCGWEAQYPHJKGF-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-8(2)16(15)9-6-4-3-5-7-11(12,13)10(9)14/h8H,3-7,14-15H2,1-2H3/b10-9-.
What are the key properties of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine?
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine is sourced from PubChem (CID 139480575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).