(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile

C15H11IN2 — CID 142141033

IUPAC(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile
SMILESN#C[C@@H](I)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11IN2/c16-14(9-17)18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,14-15,18H/t14-/m0/s1
InChIKeyFWCJVCSXHLVZKD-AWEZNQCLSA-N
MW346.17 g/mol
LogP3.63
Rot. Bonds2

About (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile

(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile (PubChem CID 142141033) has the molecular formula C15H11IN2 and a molecular weight of 346.17 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile
PubChem CID142141033
Molecular FormulaC15H11IN2
Molecular Weight346.17 g/mol
Exact Mass346.00
IUPAC Name(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile
SMILESN#C[C@@H](I)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11IN2/c16-14(9-17)18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,14-15,18H/t14-/m0/s1
InChIKeyFWCJVCSXHLVZKD-AWEZNQCLSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(9H-fluoren-9-ylamino)-2-(furan-3-yl)acetonitrile
CID 11161967
3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile
CID 62646365
9,10-dihydrophenanthrene-9,10-dicarbonitrile
CID 13028861
2-(9H-fluoren-9-ylamino)propan-1-ol
CID 43499687
N-(1-methoxypropan-2-yl)-9H-fluoren-9-amine
CID 43177914
2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645
N-(9H-fluoren-9-yl)pyrimidin-5-amine
CID 107588085
(2R)-N-cyclopentyl-2-(9H-fluoren-9-ylamino)propanamide
CID 95121049
3-(9H-fluoren-9-yl)prop-2-enenitrile
CID 175423309
N-[(1-methylcyclopropyl)methyl]-9H-fluoren-9-amine
CID 103952180
N-(9H-fluoren-9-yl)quinolin-2-amine
CID 175346330
3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
CID 3386304

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile (CID 142141033) is (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile is N#C[C@@H](I)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile?
The InChIKey is FWCJVCSXHLVZKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11IN2/c16-14(9-17)18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,14-15,18H/t14-/m0/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile?
(2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile has a molecular weight of 346.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylamino)-2-iodoacetonitrile is sourced from PubChem (CID 142141033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).